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

Systemtic Name: 2-methylpropyl 4-(4-cyclopentylcarbonyl-3-methyl-piperazin-1-yl)carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(cyclopentanecarbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-[cyclopentyl(oxo)methyl]-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(cyclopentanecarbonyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(cyclopentanecarbonyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2CCCC2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2CCCC2)C(=O)C3=C(C(=NC(=N3)C4=CC=CC=C4)C)C(=O)OCC(C)C

InChI

InChI=1S/C28H36N4O4/c1-18(2)17-36-28(35)23-20(4)29-25(21-10-6-5-7-11-21)30-24(23)27(34)31-14-15-32(19(3)16-31)26(33)22-12-8-9-13-22/h5-7,10-11,18-19,22H,8-9,12-17H2,1-4H3