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

Systemtic Name: 2-methylpropyl 4-[4-(2-chloranylethanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-methyl-2-phenyl-pyrimidine-5-carboxylate Openeye Name: isobutyl 4-[4-(2-chloroacetyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(2-chloro-1-oxoethyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-methyl-2-phenyl-5-pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[4-(2-chloroacetyl)-3-methylpiperazine-1-carbonyl]-6-methyl-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(2-chloroacetyl)-3-methyl-piperazine-1-carbonyl]-6-methyl-2-phenyl-pyrimidine-5-carboxylic acid isobutyl ester Formula: C24H29ClN4O4 MolecularWeight: 472.96446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN4O4/c1-15(2)14-33-24(32)20-17(4)26-22(18-8-6-5-7-9-18)27-21(20)23(31)28-10-11-29(16(3)13-28)19(30)12-25/h5-9,15-16H,10-14H2,1-4H3