methyl 4-oxidanylidene-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-pyridinyl)-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-pyridin-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-pyridyl)-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=N3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C3=CC=CC=N3

InChI

InChI=1S/C15H11N3O3S/c1-21-14(20)9-5-6-10-11(8-9)17-15(22)18(13(10)19)12-4-2-3-7-16-12/h2-8H,1H3,(H,17,22)