1-(1,2,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-2-methyl-6-oxidanylidene-pyrimidine-5-carboxylic acid

Systemtic Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-2-methyl-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-2-methyl-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-2-methyl-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 1-(1,2,3-benzothiadiazol-5-yl)-4-(4-methoxyphenyl)-2-methyl-6-oxopyrimidine-5-carboxylic acid Traditional Name: 1-(1,2,3-benzothiadiazol-5-yl)-6-keto-4-(4-methoxyphenyl)-2-methyl-pyrimidine-5-carboxylic acid Formula: C19H14N4O4S MolecularWeight: 394.40386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=O)N1C2=CC3=C(C=C2)SN=N3)C(=O)O)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=NC(=C(C(=O)N1C2=CC3=C(C=C2)SN=N3)C(=O)O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C19H14N4O4S/c1-10-20-17(11-3-6-13(27-2)7-4-11)16(19(25)26)18(24)23(10)12-5-8-15-14(9-12)21-22-28-15/h3-9H,1-2H3,(H,25,26)