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

Systemtic Name: 2-methylpropyl 4-methyl-6-(3-methylpiperazin-1-yl)carbonyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-methyl-6-(3-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-methyl-6-[(3-methyl-1-piperazinyl)-oxomethyl]-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-methyl-6-(3-methylpiperazine-1-carbonyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(3-methylpiperazine-1-carbonyl)-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

InChI

InChI=1S/C22H28N4O3/c1-14(2)13-29-22(28)18-16(4)24-20(17-8-6-5-7-9-17)25-19(18)21(27)26-11-10-23-15(3)12-26/h5-9,14-15,23H,10-13H2,1-4H3