N-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-nitro-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-nitro-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-nitro-benzamide CAS Name: N-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-methoxyphenyl]-3-nitrobenzamide IUPAC Name: N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-3-nitrobenzamide Traditional Name: N-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxy-phenyl]-3-nitro-benzamide Formula: C31H36N8O4 MolecularWeight: 584.66874

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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(=CC=C6)[N+](=O)[O-])OC

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-])OC

InChI

InChI=1S/C31H36N8O4/c1-36-12-14-37(15-13-36)22-7-9-23(10-8-22)38-18-25(28-29(32)33-19-34-30(28)38)20-6-11-26(27(17-20)43-2)35-31(40)21-4-3-5-24(16-21)39(41)42/h3-6,11,16-19,22-23H,7-10,12-15H2,1-2H3,(H,35,40)(H2,32,33,34)