8-cyclohexyl-7-methyl-3-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-cyclohexyl-7-methyl-3-(phenylmethyl)purine-2,6-dione Openeye Name: 3-benzyl-8-cyclohexyl-7-methyl-purine-2,6-dione CAS Name: 8-cyclohexyl-7-methyl-3-(phenylmethyl)purine-2,6-dione IUPAC Name: 3-benzyl-8-cyclohexyl-7-methylpurine-2,6-dione Traditional Name: 3-benzyl-8-cyclohexyl-7-methyl-xanthine Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CN1C(=NC2=C1C(=O)NC(=O)N2CC3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C19H22N4O2/c1-22-15-17(20-16(22)14-10-6-3-7-11-14)23(19(25)21-18(15)24)12-13-8-4-2-5-9-13/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,21,24,25)