prop-2-enyl 4-methyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate

Systemtic Name: prop-2-enyl 4-methyl-6-(3-methyl-4-octanoyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-methyl-6-(3-methyl-4-octanoyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxooctyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-methyl-6-(3-methyl-4-octanoylpiperazine-1-carbonyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-caprylyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C29H38N4O4 MolecularWeight: 506.63642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC=C

InChI

InChI=1S/C29H38N4O4/c1-5-7-8-9-13-16-24(34)33-18-17-32(20-21(33)3)28(35)26-25(29(36)37-19-6-2)22(4)30-27(31-26)23-14-11-10-12-15-23/h6,10-12,14-15,21H,2,5,7-9,13,16-20H2,1,3-4H3