4-oxidanylidene-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: 4-oxidanylidene-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: 4-oxo-3-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-3-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate IUPAC Name: 4-oxo-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxylate Formula: C15H10N3O3S- MolecularWeight: 312.3232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

Isomeric SMILES

C1=CC(=CN=C1)CN2C(=O)C3=C(C=C(C=C3)C(=O)[O-])NC2=S

InChI

InChI=1S/C15H11N3O3S/c19-13-11-4-3-10(14(20)21)6-12(11)17-15(22)18(13)8-9-2-1-5-16-7-9/h1-7H,8H2,(H,17,22)(H,20,21)/p-1