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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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