methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(1H-imidazol-5-yl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 3-[2-(1H-imidazol-5-yl)ethyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H14N4O3S MolecularWeight: 330.36166

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CN=CN3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CN=CN3

InChI

InChI=1S/C15H14N4O3S/c1-22-14(21)9-2-3-11-12(6-9)18-15(23)19(13(11)20)5-4-10-7-16-8-17-10/h2-3,6-8H,4-5H2,1H3,(H,16,17)(H,18,23)