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

Systemtic Name: 2-methylpropyl 4-[4-(2-chloranylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-chloropropanoyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C25H31ClN4O4 MolecularWeight: 486.99104

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C(C)Cl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

Isomeric SMILES

CC1CN(CCN1C(=O)C(C)Cl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)C)C(=O)OCC(C)C

InChI

InChI=1S/C25H31ClN4O4/c1-15(2)14-34-25(33)20-18(5)27-22(19-9-7-6-8-10-19)28-21(20)24(32)29-11-12-30(16(3)13-29)23(31)17(4)26/h6-10,15-17H,11-14H2,1-5H3