8-ethyl-1-methyl-7-(phenylmethyl)-3H-purine-2,6-dione

Systemtic Name: 8-ethyl-1-methyl-7-(phenylmethyl)-3H-purine-2,6-dione Openeye Name: 7-benzyl-8-ethyl-1-methyl-3H-purine-2,6-dione CAS Name: 8-ethyl-1-methyl-7-(phenylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-benzyl-8-ethyl-1-methyl-3H-purine-2,6-dione Traditional Name: 7-benzyl-8-ethyl-1-methyl-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N4O2/c1-3-11-16-13-12(14(20)18(2)15(21)17-13)19(11)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H,17,21)