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

Systemtic Name: 5-(3-methoxy-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-methoxy-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-methoxy-4-phenoxyphenyl)-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-methoxy-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-methoxy-4-phenoxy-phenyl)-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C30H36N6O2 MolecularWeight: 512.64584

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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)OC

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC(=C(C=C5)OC6=CC=CC=C6)OC

InChI

InChI=1S/C30H36N6O2/c1-34-14-16-35(17-15-34)22-9-11-23(12-10-22)36-19-25(28-29(31)32-20-33-30(28)36)21-8-13-26(27(18-21)37-2)38-24-6-4-3-5-7-24/h3-8,13,18-20,22-23H,9-12,14-17H2,1-2H3,(H2,31,32,33)