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

Systemtic Name: ethyl 4-azanyl-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(4-keto-1H-quinazolin-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C16H15N5O3S/c1-2-24-15(23)10-7-18-16(21-13(10)17)25-8-12-19-11-6-4-3-5-9(11)14(22)20-12/h3-7H,2,8H2,1H3,(H2,17,18,21)(H,19,20,22)