Chem
J-GLOBAL ID：200907042356716790   Nikkaji number：J2.148.178E

3-[3-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-ribofuranosyl]-6-(isobutyrylamino)-3H-imidazo[4,5-g]quinazoline-8(7H)-one

3-[3-O-[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]-6-(イソブチリルアミノ)-3H-イミダゾ[4,5-g]キナゾリン-8(7H)-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H56N7O8P
Molecular formula furigana： C48-H56-N7-O8-P
Molecular weight： 889.991
InChI： InChI=1S/C48H56N7O8P/c1-30(2)45(56)52-47-51-39-26-41-40(25-38(39)46(57)53-47)50-29-54(41)44-27-42(63-64(61-24-12-23-49)55(31(3)4)32(5)6)43(62-44)28-60-48(33-13-10-9-11-14-33,34-15-19-36(58-7)20-16-34)35-17-21-37(59-8)22-18-35/h9-11,13-22,25-26,29-32,42-44H,12,24,27-28H2,1-8H3,(H2,51,52,53,56,57)/t42-,43+,44+,64?/m0/s1
InChI key： GCYFLZBZXWJICJ-ISEWFCGJSA-N
SMILES： COc1ccc(cc1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)n1cnc2cc3c(cc12)nc(NC(=O)C(C)C)[nH]c3=O)(c1ccccc1)c1ccc(OC)cc1
Systematic name  (3)：
  • 3-[3-O-[(2-シアノエトキシ)(ジイソプロピルアミノ)ホスフィノ]-5-O-(4,4′-ジメトキシトリチル)-2-デオキシ-β-D-リボフラノシル]-6-(イソブチリルアミノ)-3H-イミダゾ[4,5-g]キナゾリン-8(7H)-オン
  • N-{3-[(2R,4S,5R)-5-{[ビス(4-メトキシフェニル)(フェニル)メトキシ]メチル}-4-({[ビス(プロパン-2-イル)アミノ](2-シアノエトキシ)ホスファニル}オキシ)オキソラン-2-イル]-8-オキソ-3H,7H,8H-イミダゾ[4,5-g]キナゾリン-6-イル}-2-メチルプロパンアミド
  • N-{3-[(2R,4S,5R)-5-{[bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-4-({[bis(propan-2-yl)amino](2-cyanoethoxy)phosphanyl}oxy)oxolan-2-yl]-8-oxo-3H,7H,8H-imidazo[4,5-g]quinazolin-6-yl}-2-methylpropanamide
Other name (1)：
  • 3-[3-O-[(2-Cyanoethoxy)(diisopropylamino)phosphino]-5-O-(4,4′-dimethoxytrityl)-2-deoxy-β-D-ribofuranosyl]-6-(isobutyrylamino)-3H-imidazo[4,5-g]quinazoline-8(7H)-one
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