methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methoxyethyl)-4-oxidanylidene-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Openeye Name: methyl 3-(2-methoxyethyl)-4-oxo-2-(3-pyridylmethylsulfanyl)quinazoline-7-carboxylate CAS Name: 3-(2-methoxyethyl)-4-oxo-2-(3-pyridinylmethylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methoxyethyl)-4-oxo-2-(pyridin-3-ylmethylsulfanyl)quinazoline-7-carboxylate Traditional Name: 4-keto-3-(2-methoxyethyl)-2-(3-pyridylmethylthio)quinazoline-7-carboxylic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CN=CC=C3

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CN=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-25-9-8-22-17(23)15-6-5-14(18(24)26-2)10-16(15)21-19(22)27-12-13-4-3-7-20-11-13/h3-7,10-11H,8-9,12H2,1-2H3