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

Systemtic Name: N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3,4-bis(chloranyl)benzamide Openeye Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3,4-dichloro-benzamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-3,4-dichlorobenzamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-3,4-dichlorobenzamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3,4-dichloro-benzamide Formula: C31H35Cl2N7O2 MolecularWeight: 608.5613

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)C6=CC(=C(C=C6)Cl)Cl)OC

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)C6=CC(=C(C=C6)Cl)Cl)OC

InChI

InChI=1S/C31H35Cl2N7O2/c1-38-11-13-39(14-12-38)21-5-7-22(8-6-21)40-17-23(28-29(34)35-18-36-30(28)40)19-4-10-26(27(16-19)42-2)37-31(41)20-3-9-24(32)25(33)15-20/h3-4,9-10,15-18,21-22H,5-8,11-14H2,1-2H3,(H,37,41)(H2,34,35,36)