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

Systemtic Name: 7-methyl-3-(phenylmethyl)-8-propan-2-yl-purine-2,6-dione Openeye Name: 3-benzyl-8-isopropyl-7-methyl-purine-2,6-dione CAS Name: 7-methyl-3-(phenylmethyl)-8-propan-2-ylpurine-2,6-dione IUPAC Name: 3-benzyl-7-methyl-8-propan-2-ylpurine-2,6-dione Traditional Name: 3-benzyl-8-isopropyl-7-methyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(N1C)C(=O)NC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=NC2=C(N1C)C(=O)NC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-10(2)13-17-14-12(19(13)3)15(21)18-16(22)20(14)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,18,21,22)