methyl 2-(3-cyanopropylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-(3-cyanopropylsulfanyl)-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-(3-cyanopropylsulfanyl)-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-(3-cyanopropylthio)-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-cyanopropylsulfanyl)-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-(3-cyanopropylthio)-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N

InChI

InChI=1S/C18H21N3O3S/c1-12(2)11-21-16(22)14-7-6-13(17(23)24-3)10-15(14)20-18(21)25-9-5-4-8-19/h6-7,10,12H,4-5,9,11H2,1-3H3