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

Systemtic Name: 5-(3-methyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-methyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 5-(3-methyl-4-phenoxyphenyl)-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 5-(3-methyl-4-phenoxyphenyl)-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-methyl-4-phenoxy-phenyl)-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C30H36N6O MolecularWeight: 496.64644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCN(CC5)C)OC6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CN(C3=C2C(=NC=N3)N)C4CCC(CC4)N5CCN(CC5)C)OC6=CC=CC=C6

InChI

InChI=1S/C30H36N6O/c1-21-18-22(8-13-27(21)37-25-6-4-3-5-7-25)26-19-36(30-28(26)29(31)32-20-33-30)24-11-9-23(10-12-24)35-16-14-34(2)15-17-35/h3-8,13,18-20,23-24H,9-12,14-17H2,1-2H3,(H2,31,32,33)