ethyl 4-azanyl-2-[2-(4-chloranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(4-chloranyl-3-methyl-phenyl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-chloro-3-methyl-phenyl)-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(4-chloro-3-methylphenyl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(4-chloro-3-methylphenyl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(4-chloro-3-methyl-phenyl)-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16ClN3O3S MolecularWeight: 365.83454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)C2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C16H16ClN3O3S/c1-3-23-15(22)11-7-19-16(20-14(11)18)24-8-13(21)10-4-5-12(17)9(2)6-10/h4-7H,3,8H2,1-2H3,(H2,18,19,20)