methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[[2-oxo-2-(prop-2-ynylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[2-oxo-2-(prop-2-ynylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[2-keto-2-(propargylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4S/c1-5-8-20-16(23)11-27-19-21-15-9-13(18(25)26-4)6-7-14(15)17(24)22(19)10-12(2)3/h1,6-7,9,12H,8,10-11H2,2-4H3,(H,20,23)