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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCCCC#N

InChI

InChI=1S/C18H21N3O3S/c1-3-4-10-21-16(22)14-8-7-13(17(23)24-2)12-15(14)20-18(21)25-11-6-5-9-19/h7-8,12H,3-6,10-11H2,1-2H3