2-azanyl-6-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzenecarbonitrile

Systemtic Name: 2-azanyl-6-[4-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzenecarbonitrile Openeye Name: 2-amino-6-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzonitrile CAS Name: 2-amino-6-[4-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]phenoxy]benzonitrile IUPAC Name: 2-amino-6-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzonitrile Traditional Name: 2-amino-6-[4-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]phenoxy]benzonitrile Formula: C30H34N8O MolecularWeight: 522.64396

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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(=C6C#N)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C=C(C4=C3N=CN=C4N)C5=CC=C(C=C5)OC6=CC=CC(=C6C#N)N

InChI

InChI=1S/C30H34N8O/c1-36-13-15-37(16-14-36)21-7-9-22(10-8-21)38-18-25(28-29(33)34-19-35-30(28)38)20-5-11-23(12-6-20)39-27-4-2-3-26(32)24(27)17-31/h2-6,11-12,18-19,21-22H,7-10,13-16,32H2,1H3,(H2,33,34,35)