4-azanyl-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide; 5-fluoranyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid

Systemtic Name: 4-azanyl-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide; 5-fluoranyl-2,4-bis(oxidanylidene)-1H-pyrimidine-6-carboxylic acid Openeye Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide; 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid CAS Name: 4-amino-N-(6-methoxy-4-pyrimidinyl)benzenesulfonamide; 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid IUPAC Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide; 5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxylic acid Traditional Name: 4-amino-N-(6-methoxypyrimidin-4-yl)benzenesulfonamide; 5-fluoro-2,4-diketo-1H-pyrimidine-6-carboxylic acid Formula: C16H15FN6O7S MolecularWeight: 454.389703

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1(=C(NC(=O)NC1=O)C(=O)O)F

Isomeric SMILES

COC1=NC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N.C1(=C(NC(=O)NC1=O)C(=O)O)F

InChI

InChI=1S/C11H12N4O3S.C5H3FN2O4/c1-18-11-6-10(13-7-14-11)15-19(16,17)9-4-2-8(12)3-5-9;6-1-2(4(10)11)7-5(12)8-3(1)9/h2-7H,12H2,1H3,(H,13,14,15);(H,10,11)(H2,7,8,9,12)