methyl 3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 3-butan-2-yl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-sec-butyl-2-thioxo-1H-quinazoline-7-carboxylate CAS Name: 3-butan-2-yl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 3-butan-2-yl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-3-sec-butyl-2-thioxo-1H-quinazoline-7-carboxylic acid methyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

Isomeric SMILES

CCC(C)N1C(=O)C2=C(C=C(C=C2)C(=O)OC)NC1=S

InChI

InChI=1S/C14H16N2O3S/c1-4-8(2)16-12(17)10-6-5-9(13(18)19-3)7-11(10)15-14(16)20/h5-8H,4H2,1-3H3,(H,15,20)