4-[6-[(2-chlorophenyl)methylamino]-9-[(3-methylphenyl)methyl]purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(3-methylphenyl)methyl]purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 4-[6-[(2-chlorophenyl)methylamino]-9-(m-tolylmethyl)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(3-methylphenyl)methyl]-2-purinyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 4-[6-[(2-chlorophenyl)methylamino]-9-[(3-methylphenyl)methyl]purin-2-yl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[6-[(2-chlorobenzyl)amino]-9-(3-methylbenzyl)purin-2-yl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C31H37ClN8O MolecularWeight: 573.13148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4Cl)N5CCN(CC5)C(=O)NC6CCCCC6

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3NCC4=CC=CC=C4Cl)N5CCN(CC5)C(=O)NC6CCCCC6

InChI

InChI=1S/C31H37ClN8O/c1-22-8-7-9-23(18-22)20-40-21-34-27-28(33-19-24-10-5-6-13-26(24)32)36-30(37-29(27)40)38-14-16-39(17-15-38)31(41)35-25-11-3-2-4-12-25/h5-10,13,18,21,25H,2-4,11-12,14-17,19-20H2,1H3,(H,35,41)(H,33,36,37)