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

Systemtic Name: methyl 4-oxidanylidene-2-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-phenethyl-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H21N5O4S MolecularWeight: 499.54104

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCN3C(=O)C4=CC=CC=C4N=N3)CCC5=CC=CC=C5

InChI

InChI=1S/C26H21N5O4S/c1-35-25(34)18-11-12-20-22(15-18)27-26(30(23(20)32)14-13-17-7-3-2-4-8-17)36-16-31-24(33)19-9-5-6-10-21(19)28-29-31/h2-12,15H,13-14,16H2,1H3