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

Systemtic Name: 1-methyl-2-[(2-oxidanylcyclohexyl)amino]-8-phenyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-8-phenyl-purin-6-one CAS Name: 2-[(2-hydroxycyclohexyl)amino]-1-methyl-8-phenyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-8-phenylpurin-6-one Traditional Name: 7-benzyl-2-[(2-hydroxycyclohexyl)amino]-1-methyl-8-phenyl-purin-6-one Formula: C25H27N5O2 MolecularWeight: 429.51418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1NC5CCCCC5O

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)C4=CC=CC=C4)N=C1NC5CCCCC5O

InChI

InChI=1S/C25H27N5O2/c1-29-24(32)21-22(28-25(29)26-19-14-8-9-15-20(19)31)27-23(18-12-6-3-7-13-18)30(21)16-17-10-4-2-5-11-17/h2-7,10-13,19-20,31H,8-9,14-16H2,1H3,(H,26,28)