methyl 3-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(2-methylthiazol-4-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[(2-methyl-4-thiazolyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(2-methylthiazol-4-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C19H21N3O3S2 MolecularWeight: 403.51834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CSC(=N3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=CSC(=N3)C

InChI

InChI=1S/C19H21N3O3S2/c1-4-5-8-22-17(23)15-7-6-13(18(24)25-3)9-16(15)21-19(22)27-11-14-10-26-12(2)20-14/h6-7,9-10H,4-5,8,11H2,1-3H3