ethyl 6-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methylsulfanyl]-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methylthio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methylsulfanyl]-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methylthio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC2=NC3=CC=CC=C3C(=O)N2CC(=O)N)C

InChI

InChI=1S/C21H19N5O4S/c1-3-30-21(29)15-8-13(9-22)19(24-12(15)2)31-11-18-25-16-7-5-4-6-14(16)20(28)26(18)10-17(23)27/h4-8H,3,10-11H2,1-2H3,(H2,23,27)