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

Systemtic Name: methyl 2-methyl-4-[3-methyl-4-(2-phenylsulfanylethanoyl)piperazin-1-yl]carbonyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-isopropyl-2-methyl-6-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]pyrimidine-5-carboxylate CAS Name: 2-methyl-4-[[3-methyl-4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]-oxomethyl]-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-[3-methyl-4-(2-phenylsulfanylacetyl)piperazine-1-carbonyl]-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-isopropyl-2-methyl-6-[3-methyl-4-[2-(phenylthio)acetyl]piperazine-1-carbonyl]pyrimidine-5-carboxylic acid methyl ester Formula: C24H30N4O4S MolecularWeight: 470.5844

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CSC2=CC=CC=C2)C(=O)C3=C(C(=NC(=N3)C)C(C)C)C(=O)OC

InChI

InChI=1S/C24H30N4O4S/c1-15(2)21-20(24(31)32-5)22(26-17(4)25-21)23(30)27-11-12-28(16(3)13-27)19(29)14-33-18-9-7-6-8-10-18/h6-10,15-16H,11-14H2,1-5H3