(5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione

Systemtic Name: (5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione Openeye Name: (5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione CAS Name: (5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione IUPAC Name: (5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-dione Traditional Name: (5S,6S)-6-phenyl-5,6,7,9-tetrahydro-1H-purine-2,8-quinone Formula: C11H10N4O2 MolecularWeight: 230.2227

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C3C(=NC(=O)N2)NC(=O)N3

Isomeric SMILES

C1=CC=C(C=C1)[C@H]2[C@H]3C(=NC(=O)N2)NC(=O)N3

InChI

InChI=1S/C11H10N4O2/c16-10-12-7(6-4-2-1-3-5-6)8-9(14-10)15-11(17)13-8/h1-5,7-8H,(H3,12,13,14,15,16,17)/t7-,8-/m0/s1