2-methylpropyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(3-chloro-2,2-dimethylpropanoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C27H35ClN4O4 MolecularWeight: 515.0442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)(C)CCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

InChI

InChI=1S/C27H35ClN4O4/c1-17(2)15-36-25(34)21-19(4)29-23(20-10-8-7-9-11-20)30-22(21)24(33)31-12-13-32(18(3)14-31)26(35)27(5,6)16-28/h7-11,17-18H,12-16H2,1-6H3