1-methyl-9-(phenylmethyl)-8-propyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-9-(phenylmethyl)-8-propyl-3H-purine-2,6-dione Openeye Name: 9-benzyl-1-methyl-8-propyl-3H-purine-2,6-dione CAS Name: 1-methyl-9-(phenylmethyl)-8-propyl-3H-purine-2,6-dione IUPAC Name: 9-benzyl-1-methyl-8-propyl-3H-purine-2,6-dione Traditional Name: 9-benzyl-1-methyl-8-propyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC=C3)NC(=O)N(C2=O)C

InChI

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