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

Systemtic Name: (phenylmethyl) 4-(4-heptanoyl-3-methyl-piperazin-1-yl)carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-(4-heptanoyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 2,4-dimethyl-6-[[3-methyl-4-(1-oxoheptyl)-1-piperazinyl]-oxomethyl]-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-heptanoyl-3-methylpiperazine-1-carbonyl)-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-(4-enanthyl-3-methyl-piperazine-1-carbonyl)-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O4/c1-5-6-7-11-14-23(32)31-16-15-30(17-19(31)2)26(33)25-24(20(3)28-21(4)29-25)27(34)35-18-22-12-9-8-10-13-22/h8-10,12-13,19H,5-7,11,14-18H2,1-4H3