Chem
J-GLOBAL ID：201607009514527400   Nikkaji number：J3.485.443B

1-(2-Hydroxyethyl)-3-[4-[4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholino]-2-pyrimidinyl]phenyl]thiourea

1-(2-ヒドロキシエチル)-3-[4-[4-[1-(シクロプロピルスルホニル)シクロプロピル]-6-[(3S)-3-メチルモルホリノ]-2-ピリミジニル]フェニル]チオ尿素
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： C24H31N5O4S2
Molecular formula furigana： C24-H31-N5-O4-S2
Molecular weight： 517.659
InChI： InChI=1S/C24H31N5O4S2/c1-16-15-33-13-11-29(16)21-14-20(24(8-9-24)35(31,32)19-6-7-19)27-22(28-21)17-2-4-18(5-3-17)26-23(34)25-10-12-30/h2-5,14,16,19,30H,6-13,15H2,1H3,(H2,25,26,34)/t16-/m0/s1
InChI key： JWGVUDPAMQEIJU-INIZCTEOSA-N
SMILES： C[C@H]1COCCN1c1cc(nc(n1)c1ccc(NC(=S)NCCO)cc1)C1(CC1)S(=O)(=O)C1CC1
Systematic name  (3)：
  • 1-(2-ヒドロキシエチル)-3-[4-[4-[1-(シクロプロピルスルホニル)シクロプロピル]-6-[(3S)-3-メチルモルホリノ]-2-ピリミジニル]フェニル]チオ尿素
  • 1-(4-{4-[1-(シクロプロパンスルホニル)シクロプロピル]-6-[(3S)-3-メチルモルホリン-4-イル]ピリミジン-2-イル}フェニル)-3-(2-ヒドロキシエチル)チオ尿素
  • 1-(4-{4-[1-(cyclopropanesulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholin-4-yl]pyrimidin-2-yl}phenyl)-3-(2-hydroxyethyl)thiourea
Other name (1)：
  • 1-(2-Hydroxyethyl)-3-[4-[4-[1-(cyclopropylsulfonyl)cyclopropyl]-6-[(3S)-3-methylmorpholino]-2-pyrimidinyl]phenyl]thiourea
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