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

Systemtic Name: 4-(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Openeye Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide CAS Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide IUPAC Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Traditional Name: 4-(2-amino-4-keto-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonamide Formula: C12H14N6O3S MolecularWeight: 322.34296

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)NC(=NC2=O)N

Isomeric SMILES

C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)NC(=NC2=O)N

InChI

InChI=1S/C12H14N6O3S/c13-12-16-10-9(11(19)17-12)5-18(6-15-10)7-1-3-8(4-2-7)22(14,20)21/h1-4H,5-6H2,(H2,14,20,21)(H4,13,15,16,17,19)