ethyl 4-azanyl-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(7-chloro-4-keto-1H-quinazolin-2-yl)methylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H14ClN5O3S MolecularWeight: 391.83206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN5O3S/c1-2-25-15(24)10-6-19-16(22-13(10)18)26-7-12-20-11-5-8(17)3-4-9(11)14(23)21-12/h3-6H,2,7H2,1H3,(H2,18,19,22)(H,20,21,23)