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

Systemtic Name: 8-(phenylmethyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-benzyl-3,7-dihydropurine-2,6-dione CAS Name: 8-(phenylmethyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-benzyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-benzyl-7H-xanthine Formula: C12H10N4O2 MolecularWeight: 242.2334

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)NC(=O)N3

InChI

InChI=1S/C12H10N4O2/c17-11-9-10(15-12(18)16-11)14-8(13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,13,14,15,16,17,18)