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

Systemtic Name: 6-methyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: 5-(3-benzyloxyphenyl)-6-methyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 6-methyl-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-(3-phenylmethoxyphenyl)-4-pyrrolo[2,3-d]pyrimidinamine IUPAC Name: 6-methyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(3-phenylmethoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: [5-(3-benzoxyphenyl)-6-methyl-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C31H38N6O MolecularWeight: 510.67302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3CCC(CC3)N4CCN(CC4)C)N=CN=C2N)C5=CC(=CC=C5)OCC6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(N1C3CCC(CC3)N4CCN(CC4)C)N=CN=C2N)C5=CC(=CC=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H38N6O/c1-22-28(24-9-6-10-27(19-24)38-20-23-7-4-3-5-8-23)29-30(32)33-21-34-31(29)37(22)26-13-11-25(12-14-26)36-17-15-35(2)16-18-36/h3-10,19,21,25-26H,11-18,20H2,1-2H3,(H2,32,33,34)