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

Systemtic Name: [4-[[6-[(phenylmethyl)-piperidin-4-yl-amino]-9-propan-2-yl-purin-2-yl]amino]cyclohexyl]carbamic acid Openeye Name: [4-[[6-[benzyl(4-piperidyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]carbamic acid CAS Name: [4-[[6-[(phenylmethyl)-(4-piperidinyl)amino]-9-propan-2-yl-2-purinyl]amino]cyclohexyl]carbamic acid IUPAC Name: [4-[[6-[benzyl(piperidin-4-yl)amino]-9-propan-2-ylpurin-2-yl]amino]cyclohexyl]carbamic acid Traditional Name: [4-[[6-[benzyl(4-piperidyl)amino]-9-isopropyl-purin-2-yl]amino]cyclohexyl]carbamic acid Formula: C27H38N8O2 MolecularWeight: 506.64302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=CC=C3)C4CCNCC4)NC5CCC(CC5)NC(=O)O

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2N(CC3=CC=CC=C3)C4CCNCC4)NC5CCC(CC5)NC(=O)O

InChI

InChI=1S/C27H38N8O2/c1-18(2)35-17-29-23-24(34(22-12-14-28-15-13-22)16-19-6-4-3-5-7-19)32-26(33-25(23)35)30-20-8-10-21(11-9-20)31-27(36)37/h3-7,17-18,20-22,28,31H,8-16H2,1-2H3,(H,36,37)(H,30,32,33)