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

Systemtic Name: methyl 3-butyl-4-oxidanylidene-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazoline-7-carboxylate CAS Name: 3-butyl-4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H21N5O4S/c1-3-4-11-26-19(28)16-10-9-14(21(30)31-2)12-18(16)23-22(26)32-13-27-20(29)15-7-5-6-8-17(15)24-25-27/h5-10,12H,3-4,11,13H2,1-2H3