4-(4-methylphenyl)-2-sulfanylidene-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one

Systemtic Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one Openeye Name: 4-(p-tolyl)-2-thioxo-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one CAS Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one IUPAC Name: 4-(4-methylphenyl)-2-sulfanylidene-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one Traditional Name: 4-(p-tolyl)-2-thioxo-1,3,4,8-tetrahydropyrimido[4,5-d]pyrimidin-5-one Formula: C13H12N4OS MolecularWeight: 272.32558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C3=C(NC=NC3=O)NC(=S)N2

Isomeric SMILES

CC1=CC=C(C=C1)C2C3=C(NC=NC3=O)NC(=S)N2

InChI

InChI=1S/C13H12N4OS/c1-7-2-4-8(5-3-7)10-9-11(17-13(19)16-10)14-6-15-12(9)18/h2-6,10H,1H3,(H3,14,15,16,17,18,19)