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

Systemtic Name: ethyl 4-[4-(3-chloranyl-2,2-dimethyl-propanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H31ClN4O4 MolecularWeight: 486.99104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(C)(C)CCl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1C)C2=CC=CC=C2)C(=O)N3CCN(C(C3)C)C(=O)C(C)(C)CCl

InChI

InChI=1S/C25H31ClN4O4/c1-6-34-23(32)19-17(3)27-21(18-10-8-7-9-11-18)28-20(19)22(31)29-12-13-30(16(2)14-29)24(33)25(4,5)15-26/h7-11,16H,6,12-15H2,1-5H3