methyl 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-(4-hexanoyl-3-methyl-piperazin-1-yl)carbonyl-2-phenyl-6-propan-2-yl-pyrimidine-5-carboxylate Openeye Name: methyl 4-(4-hexanoyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[3-methyl-4-(1-oxohexyl)-1-piperazinyl]-oxomethyl]-2-phenyl-6-propan-2-yl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-hexanoyl-3-methylpiperazine-1-carbonyl)-2-phenyl-6-propan-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(4-caproyl-3-methyl-piperazine-1-carbonyl)-6-isopropyl-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C27H36N4O4 MolecularWeight: 480.59914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C(C)C)C(=O)OC

InChI

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