[4-[[9-cyclopent-2-en-1-yl-6-[(phenylmethyl)-piperidin-4-yl-amino]purin-2-yl]amino]cyclohexyl]carbamic acid

Systemtic Name: [4-[[9-cyclopent-2-en-1-yl-6-[(phenylmethyl)-piperidin-4-yl-amino]purin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[6-[benzyl(4-piperidyl)amino]-9-cyclopent-2-en-1-yl-purin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[9-(1-cyclopent-2-enyl)-6-[(phenylmethyl)-(4-piperidinyl)amino]-2-purinyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[6-[benzyl(piperidin-4-yl)amino]-9-cyclopent-2-en-1-ylpurin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[6-[benzyl(4-piperidyl)amino]-9-cyclopent-2-en-1-yl-purin-2-yl]amino]cyclohexyl]carbamic acid Formula: C29H38N8O2 MolecularWeight: 530.66442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C=C1)N2C=NC3=C2N=C(N=C3N(CC4=CC=CC=C4)C5CCNCC5)NC6CCC(CC6)NC(=O)O

Isomeric SMILES

C1CC(C=C1)N2C=NC3=C2N=C(N=C3N(CC4=CC=CC=C4)C5CCNCC5)NC6CCC(CC6)NC(=O)O

InChI

InChI=1S/C29H38N8O2/c38-29(39)33-22-12-10-21(11-13-22)32-28-34-26(25-27(35-28)37(19-31-25)23-8-4-5-9-23)36(24-14-16-30-17-15-24)18-20-6-2-1-3-7-20/h1-4,6-8,19,21-24,30,33H,5,9-18H2,(H,38,39)(H,32,34,35)