8-ethyl-1-methyl-2-[(2-oxidanylcyclohexyl)amino]-7-(phenylmethyl)purin-6-one

Systemtic Name: 8-ethyl-1-methyl-2-[(2-oxidanylcyclohexyl)amino]-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-purin-6-one CAS Name: 8-ethyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclohexyl)amino]-1-methylpurin-6-one Traditional Name: 7-benzyl-8-ethyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-purin-6-one Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCCC4O)C

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)NC4CCCCC4O)C

InChI

InChI=1S/C21H27N5O2/c1-3-17-23-19-18(26(17)13-14-9-5-4-6-10-14)20(28)25(2)21(24-19)22-15-11-7-8-12-16(15)27/h4-6,9-10,15-16,27H,3,7-8,11-13H2,1-2H3,(H,22,24)