N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2-chloranyl-6-methyl-benzamide

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2-chloranyl-6-methyl-benzamide Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2-chloro-6-methyl-benzamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-2-chloro-6-methylbenzamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-2-chloro-6-methylbenzamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-2-chloro-6-methyl-benzamide Formula: C32H38ClN7O2 MolecularWeight: 588.14282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)C(=O)NC2=C(C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)C(=O)NC2=C(C=C(C=C2)C3=CN(C4=C3C(=NC=N4)N)C5CCC(CC5)N6CCN(CC6)C)OC

InChI

InChI=1S/C32H38ClN7O2/c1-20-5-4-6-25(33)28(20)32(41)37-26-12-7-21(17-27(26)42-3)24-18-40(31-29(24)30(34)35-19-36-31)23-10-8-22(9-11-23)39-15-13-38(2)14-16-39/h4-7,12,17-19,22-23H,8-11,13-16H2,1-3H3,(H,37,41)(H2,34,35,36)