7-(phenylmethyl)-3H-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3

InChI

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