1-(phenylmethyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 1-(phenylmethyl)-3,7-dihydropurine-2,6-dione Openeye Name: 1-benzyl-3,7-dihydropurine-2,6-dione CAS Name: 1-(phenylmethyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 1-benzyl-3,7-dihydropurine-2,6-dione Traditional Name: 1-benzyl-7H-xanthine Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=O)N=CN3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(NC2=O)N=CN3

InChI

InChI=1S/C12H10N4O2/c17-11-9-10(14-7-13-9)15-12(18)16(11)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)(H,15,18)