ethyl 4-azanyl-2-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(2-oxo-1H-quinolin-4-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-keto-1H-quinolin-4-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C17H16N4O3S/c1-2-24-16(23)12-8-19-17(21-15(12)18)25-9-10-7-14(22)20-13-6-4-3-5-11(10)13/h3-8H,2,9H2,1H3,(H,20,22)(H2,18,19,21)