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

Systemtic Name: methyl 2-[2-(methylamino)-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[2-(methylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(methylamino)-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(methylamino)-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[2-keto-2-(methylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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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)NC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-10(2)8-20-15(22)12-6-5-11(16(23)24-4)7-13(12)19-17(20)25-9-14(21)18-3/h5-7,10H,8-9H2,1-4H3,(H,18,21)