ethyl 4-azanyl-2-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-(3-chlorophenyl)-2-keto-1-methyl-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)SC(C)C(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

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

InChI

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