4-[[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbamoyl]benzenesulfonic acid

Systemtic Name: 4-[[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbamoyl]benzenesulfonic acid Openeye Name: 4-[(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid CAS Name: 4-[[(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]benzenesulfonic acid Traditional Name: 4-[(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)carbamoyl]besylic acid Formula: C13H14N4O6S MolecularWeight: 354.33846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C13H14N4O6S/c1-16-10(14)9(12(19)17(2)13(16)20)15-11(18)7-3-5-8(6-4-7)24(21,22)23/h3-6H,14H2,1-2H3,(H,15,18)(H,21,22,23)