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

Systemtic Name: methyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3-chloro-2,2-dimethyl-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(3-chloro-2,2-dimethylpropanoyl)-3-methylpiperazine-1-carbonyl]-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chloro-2,2-dimethyl-propanoyl)-3-methyl-piperazine-1-carbonyl]-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C26H33ClN4O4 MolecularWeight: 501.01762

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)C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H33ClN4O4/c1-16(2)20-19(24(33)35-6)21(29-22(28-20)18-10-8-7-9-11-18)23(32)30-12-13-31(17(3)14-30)25(34)26(4,5)15-27/h7-11,16-17H,12-15H2,1-6H3