4-(2-methylsulfanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide

Systemtic Name: 4-(2-methylsulfanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Openeye Name: 4-(2-methylsulfanyl-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide CAS Name: 4-[2-(methylthio)-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl]benzenesulfonamide IUPAC Name: 4-(2-methylsulfanyl-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Traditional Name: 4-[4-keto-2-(methylthio)-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl]benzenesulfonamide Formula: C13H15N5O3S2 MolecularWeight: 353.4199

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=O)C2=C(N1)NCN(C2)C3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CSC1=NC(=O)C2=C(N1)NCN(C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C13H15N5O3S2/c1-22-13-16-11-10(12(19)17-13)6-18(7-15-11)8-2-4-9(5-3-8)23(14,20)21/h2-5H,6-7H2,1H3,(H2,14,20,21)(H2,15,16,17,19)