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

Systemtic Name: prop-2-enyl 4-(4-heptanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-(4-heptanoyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxoheptyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-heptanoyl-3-methylpiperazine-1-carbonyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-enanthyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36N4O4/c1-5-7-8-12-15-23(33)32-17-16-31(19-20(32)3)27(34)25-24(28(35)36-18-6-2)21(4)29-26(30-25)22-13-10-9-11-14-22/h6,9-11,13-14,20H,2,5,7-8,12,15-19H2,1,3-4H3