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

Systemtic Name: 5-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzaldehyde Openeye Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzaldehyde CAS Name: 5-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-phenoxybenzaldehyde IUPAC Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxybenzaldehyde Traditional Name: 5-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzaldehyde Formula: C30H34N6O2 MolecularWeight: 510.62996

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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)C=O

Isomeric SMILES

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

InChI

InChI=1S/C30H34N6O2/c1-34-13-15-35(16-14-34)23-8-10-24(11-9-23)36-18-26(28-29(31)32-20-33-30(28)36)21-7-12-27(22(17-21)19-37)38-25-5-3-2-4-6-25/h2-7,12,17-20,23-24H,8-11,13-16H2,1H3,(H2,31,32,33)