methyl 2-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2-cyano-3-methyl-butan-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(2-cyano-3-methylbutan-2-yl)amino]-2-oxoethyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[[2-[(1-cyano-1,2-dimethyl-propyl)amino]-2-keto-ethyl]thio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CCC3=CC=CC=C3

InChI

InChI=1S/C26H28N4O4S/c1-17(2)26(3,16-27)29-22(31)15-35-25-28-21-14-19(24(33)34-4)10-11-20(21)23(32)30(25)13-12-18-8-6-5-7-9-18/h5-11,14,17H,12-13,15H2,1-4H3,(H,29,31)