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

Systemtic Name: 4-(2-azanyl-4-oxidanylidene-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonic acid Openeye Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonic acid CAS Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonic acid IUPAC Name: 4-(2-amino-4-oxo-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)benzenesulfonic acid Traditional Name: 4-(2-amino-4-keto-1,5,7,8-tetrahydropyrimido[4,5-d]pyrimidin-6-yl)besylic acid Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O4S/c13-12-15-10-9(11(18)16-12)5-17(6-14-10)7-1-3-8(4-2-7)22(19,20)21/h1-4H,5-6H2,(H,19,20,21)(H4,13,14,15,16,18)