methyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate

Systemtic Name: methyl 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(2-oxidanylpropyl)quinazoline-7-carboxylate Openeye Name: methyl 2-(cyanomethylsulfanyl)-3-(2-hydroxypropyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(cyanomethylthio)-3-(2-hydroxypropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethylsulfanyl)-3-(2-hydroxypropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(cyanomethylthio)-3-(2-hydroxypropyl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N)O

Isomeric SMILES

CC(CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC#N)O

InChI

InChI=1S/C15H15N3O4S/c1-9(19)8-18-13(20)11-4-3-10(14(21)22-2)7-12(11)17-15(18)23-6-5-16/h3-4,7,9,19H,6,8H2,1-2H3