1,8-dimethyl-2-[(2-oxidanylcycloheptyl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 1,8-dimethyl-2-[(2-oxidanylcycloheptyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxycycloheptyl)amino]-1,8-dimethyl-purin-6-one CAS Name: 2-[(2-hydroxycycloheptyl)amino]-1,8-dimethyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxycycloheptyl)amino]-1,8-dimethylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxycycloheptyl)amino]-1,8-dimethyl-purin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCCCC4O)C

Isomeric SMILES

CC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCCCC4O)C

InChI

InChI=1S/C21H27N5O2/c1-14-22-19-18(26(14)13-15-9-5-3-6-10-15)20(28)25(2)21(24-19)23-16-11-7-4-8-12-17(16)27/h3,5-6,9-10,16-17,27H,4,7-8,11-13H2,1-2H3,(H,23,24)