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

Systemtic Name: propan-2-yl 4-methyl-6-[3-methyl-4-[(4-methylsulfanylphenyl)carbamoyl]piperazin-1-yl]carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isopropyl 4-methyl-6-[3-methyl-4-[(4-methylsulfanylphenyl)carbamoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-[[4-(methylthio)anilino]-oxomethyl]-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-methyl-6-[3-methyl-4-[(4-methylsulfanylphenyl)carbamoyl]piperazine-1-carbonyl]-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-[3-methyl-4-[[4-(methylthio)phenyl]carbamoyl]piperazine-1-carbonyl]-2-phenyl-pyrimidine-5-carboxylic acid isopropyl ester Formula: C29H33N5O4S MolecularWeight: 547.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)SC)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)NC2=CC=C(C=C2)SC)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OC(C)C

InChI

InChI=1S/C29H33N5O4S/c1-18(2)38-28(36)24-20(4)30-26(21-9-7-6-8-10-21)32-25(24)27(35)33-15-16-34(19(3)17-33)29(37)31-22-11-13-23(39-5)14-12-22/h6-14,18-19H,15-17H2,1-5H3,(H,31,37)