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

Systemtic Name: 5-[4-azanyl-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzamide Openeye Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzamide CAS Name: 5-[4-amino-7-[4-(4-methyl-1-piperazinyl)cyclohexyl]-5-pyrrolo[2,3-d]pyrimidinyl]-2-phenoxybenzamide IUPAC Name: 5-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxybenzamide Traditional Name: 5-[4-amino-7-[4-(4-methylpiperazino)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-phenoxy-benzamide Formula: C30H35N7O2 MolecularWeight: 525.6446

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C30H35N7O2/c1-35-13-15-36(16-14-35)21-8-10-22(11-9-21)37-18-25(27-28(31)33-19-34-30(27)37)20-7-12-26(24(17-20)29(32)38)39-23-5-3-2-4-6-23/h2-7,12,17-19,21-22H,8-11,13-16H2,1H3,(H2,32,38)(H2,31,33,34)