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

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

Click to see the large picture

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)C)C(=O)OC

Isomeric SMILES

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

InChI

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