(phenylmethyl) 2,4-dimethyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)carbonyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 2,4-dimethyl-6-(3-methyl-4-pentanoyl-piperazin-1-yl)carbonyl-pyrimidine-5-carboxylate Openeye Name: benzyl 2,4-dimethyl-6-(3-methyl-4-pentanoyl-piperazine-1-carbonyl)pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxopentyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-dimethyl-6-(3-methyl-4-pentanoylpiperazine-1-carbonyl)pyrimidine-5-carboxylate Traditional Name: 2,4-dimethyl-6-(3-methyl-4-valeryl-piperazine-1-carbonyl)pyrimidine-5-carboxylic acid benzyl ester Formula: C25H32N4O4 MolecularWeight: 452.54598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H32N4O4/c1-5-6-12-21(30)29-14-13-28(15-17(29)2)24(31)23-22(18(3)26-19(4)27-23)25(32)33-16-20-10-8-7-9-11-20/h7-11,17H,5-6,12-16H2,1-4H3