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

Systemtic Name: 2-methylpropyl 4-methyl-6-(3-methyl-4-nonanoyl-piperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-(3-methyl-4-nonanoyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[[3-methyl-4-(1-oxononyl)-1-piperazinyl]-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-(3-methyl-4-nonanoylpiperazine-1-carbonyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methyl-4-pelargonyl-piperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C31H44N4O4 MolecularWeight: 536.70546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N4O4/c1-6-7-8-9-10-14-17-26(36)35-19-18-34(20-23(35)4)30(37)28-27(31(38)39-21-22(2)3)24(5)32-29(33-28)25-15-12-11-13-16-25/h11-13,15-16,22-23H,6-10,14,17-21H2,1-5H3