7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-nitro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-nitro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-nitro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-(3-nitro-4-phenoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-nitro-4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [7-[4-(4-methylpiperazino)cyclohexyl]-5-(3-nitro-4-phenoxy-phenyl)pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C29H33N7O3 MolecularWeight: 527.61742

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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)OC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)OC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C29H33N7O3/c1-33-13-15-34(16-14-33)21-8-10-22(11-9-21)35-18-24(27-28(30)31-19-32-29(27)35)20-7-12-26(25(17-20)36(37)38)39-23-5-3-2-4-6-23/h2-7,12,17-19,21-22H,8-11,13-16H2,1H3,(H2,30,31,32)