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

Systemtic Name: prop-2-enyl 4-(4-butanoyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: allyl 4-(4-butanoyl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxobutyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 4-(4-butanoyl-3-methylpiperazine-1-carbonyl)-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-(4-butyryl-3-methyl-piperazine-1-carbonyl)-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid allyl ester Formula: C25H30N4O4 MolecularWeight: 450.5301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O4/c1-5-10-20(30)29-14-13-28(16-17(29)3)24(31)22-21(25(32)33-15-6-2)18(4)26-23(27-22)19-11-8-7-9-12-19/h6-9,11-12,17H,2,5,10,13-16H2,1,3-4H3