methyl 3-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[(5-methylisoxazol-3-yl)methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[(5-methyl-3-isoxazolyl)methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(5-methylisoxazol-3-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NOC(=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NOC(=C3)C

InChI

InChI=1S/C19H21N3O4S/c1-4-5-8-22-17(23)15-7-6-13(18(24)25-3)10-16(15)20-19(22)27-11-14-9-12(2)26-21-14/h6-7,9-10H,4-5,8,11H2,1-3H3