ethyl 2,4-dimethyl-6-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-6-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-[3-methyl-4-[2-(phenylthio)acetyl]piperazine-1-carbonyl]pyrimidine-5-carboxylic acid ethyl ester Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C)C(=O)N2CCN(C(C2)C)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O4S/c1-5-31-23(30)20-16(3)24-17(4)25-21(20)22(29)26-11-12-27(15(2)13-26)19(28)14-32-18-9-7-6-8-10-18/h6-10,15H,5,11-14H2,1-4H3