methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-4-oxidanylidene-2-[(1-propyl-1,2,3,4-tetrazol-5-yl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-4-oxo-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-2-[(1-propyl-5-tetrazolyl)methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-4-oxo-2-[(1-propyltetrazol-5-yl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[(1-propyltetrazol-5-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C19H24N6O3S MolecularWeight: 416.49726

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

Isomeric SMILES

CCCN1C(=NN=N1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C

InChI

InChI=1S/C19H24N6O3S/c1-5-8-25-16(21-22-23-25)11-29-19-20-15-9-13(18(27)28-4)6-7-14(15)17(26)24(19)10-12(2)3/h6-7,9,12H,5,8,10-11H2,1-4H3