9-(phenylmethyl)-4,5-dihydro-3H-purine-2,6-dione

Systemtic Name: 9-(phenylmethyl)-4,5-dihydro-3H-purine-2,6-dione Openeye Name: 9-benzyl-4,5-dihydro-3H-purine-2,6-dione CAS Name: 9-(phenylmethyl)-4,5-dihydro-3H-purine-2,6-dione IUPAC Name: 9-benzyl-4,5-dihydro-3H-purine-2,6-dione Traditional Name: 9-benzyl-4,5-dihydro-3H-purine-2,6-quinone Formula: C12H12N4O2 MolecularWeight: 244.24928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3C2NC(=O)NC3=O

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3C2NC(=O)NC3=O

InChI

InChI=1S/C12H12N4O2/c17-11-9-10(14-12(18)15-11)16(7-13-9)6-8-4-2-1-3-5-8/h1-5,7,9-10H,6H2,(H2,14,15,17,18)