1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[[2-[(4-azanylcyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]-1-piperidyl]-3-phenyl-propan-1-one CAS Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-6-purinyl]amino]-1-piperidinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]piperidin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[[2-[(4-aminocyclohexyl)amino]-9-cyclopentyl-purin-6-yl]amino]piperidino]-3-phenyl-propan-1-one Formula: C30H42N8O MolecularWeight: 530.70748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CCC5=CC=CC=C5)NC6CCC(CC6)N

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4CCN(CC4)C(=O)CCC5=CC=CC=C5)NC6CCC(CC6)N

InChI

InChI=1S/C30H42N8O/c31-22-11-13-23(14-12-22)34-30-35-28(27-29(36-30)38(20-32-27)25-8-4-5-9-25)33-24-16-18-37(19-17-24)26(39)15-10-21-6-2-1-3-7-21/h1-3,6-7,20,22-25H,4-5,8-19,31H2,(H2,33,34,35,36)