Chem
J-GLOBAL ID：201407029949988510
Nikkaji number：J3.330.361K
4β-[2-(Butylamino)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-7-yl]cyclohexane-1α-ol
4β-[2-(ブチルアミノ)-5-[4-[(4-メチル-1-ピペラジニル)メチル]フェニル]-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキサン-1α-オール
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
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
Molecular formula： C28H40N6O
Molecular formula furigana： C28-H40-N6-O
Molecular weight： 476.669
InChI：
InChI=1S/C28H40N6O/c1-3-4-13-29-28-30-18-25-26(20-34(27(25)31-28)23-9-11-24(35)12-10-23)22-7-5-21(6-8-22)19-33-16-14-32(2)15-17-33/h5-8,18,20,23-24,35H,3-4,9-17,19H2,1-2H3,(H,29,30,31)/t23-,24-
InChI key：
MJSHVHLADKXCML-RQNOJGIXSA-N
SMILES：
CCCCNc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)c1ccc(CN2CCN(C)CC2)cc1
Systematic name (3)：
- 4β-[2-(ブチルアミノ)-5-[4-[(4-メチル-1-ピペラジニル)メチル]フェニル]-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキサン-1α-オール
- (1r,4r)-4-[2-(ブチルアミノ)-5-{4-[(4-メチルピペラジン-1-イル)メチル]フェニル}-7H-ピロロ[2,3-d]ピリミジン-7-イル]シクロヘキサン-1-オール
- (1r,4r)-4-[2-(butylamino)-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-7-yl]cyclohexan-1-ol
- 4β-[2-(Butylamino)-5-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidine-7-yl]cyclohexane-1α-ol
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