(5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione

Systemtic Name: (5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione Openeye Name: (5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione CAS Name: (5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione IUPAC Name: (5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-dione Traditional Name: (5S,6S)-6-(4-methoxyphenyl)-5,6,7,9-tetrahydro-1H-purine-2,8-quinone Formula: C12H12N4O3 MolecularWeight: 260.24868

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C3C(=NC(=O)N2)NC(=O)N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2[C@H]3C(=NC(=O)N2)NC(=O)N3

InChI

InChI=1S/C12H12N4O3/c1-19-7-4-2-6(3-5-7)8-9-10(15-11(17)13-8)16-12(18)14-9/h2-5,8-9H,1H3,(H3,13,14,15,16,17,18)/t8-,9-/m0/s1