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

Systemtic Name: 6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Openeye Name: N-(4-benzyloxyphenyl)-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine CAS Name: 6-[4-[(4-methyl-1-piperazinyl)methyl]phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine IUPAC Name: 6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine Traditional Name: (4-benzoxyphenyl)-[6-[4-[(4-methylpiperazino)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C31H32N6O MolecularWeight: 504.62538

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC=C(C=C5)OCC6=CC=CC=C6

Isomeric SMILES

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC5=CC=C(C=C5)OCC6=CC=CC=C6

InChI

InChI=1S/C31H32N6O/c1-36-15-17-37(18-16-36)20-23-7-9-25(10-8-23)29-19-28-30(32-22-33-31(28)35-29)34-26-11-13-27(14-12-26)38-21-24-5-3-2-4-6-24/h2-14,19,22H,15-18,20-21H2,1H3,(H2,32,33,34,35)