4-ethoxy-3-(6-methyl-4-oxidanylidene-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate

Systemtic Name: 4-ethoxy-3-(6-methyl-4-oxidanylidene-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate Openeye Name: 4-ethoxy-3-(6-methyl-4-oxo-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate CAS Name: 4-ethoxy-3-(6-methyl-4-oxo-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate IUPAC Name: 4-ethoxy-3-(6-methyl-4-oxo-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate Traditional Name: 4-ethoxy-3-(4-keto-6-methyl-1H-imidazo[1,5-a][1,3,5]triazin-2-yl)benzenesulfinate Formula: C14H13N4O4S- MolecularWeight: 333.34242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)[O-])C2=NC(=O)N3C(=NC=C3N2)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)[O-])C2=NC(=O)N3C(=NC=C3N2)C

InChI

InChI=1S/C14H14N4O4S/c1-3-22-11-5-4-9(23(20)21)6-10(11)13-16-12-7-15-8(2)18(12)14(19)17-13/h4-7H,3H2,1-2H3,(H,20,21)(H,16,17,19)/p-1