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

Systemtic Name: methyl 4-[4-(4-chloranylbutanoyl)-3-methyl-piperazin-1-yl]carbonyl-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate Openeye Name: methyl 4-[4-(4-chlorobutanoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(4-chloro-1-oxobutyl)-3-methyl-1-piperazinyl]-oxomethyl]-6-(methoxymethyl)-2-phenyl-5-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[4-(4-chlorobutanoyl)-3-methylpiperazine-1-carbonyl]-6-(methoxymethyl)-2-phenylpyrimidine-5-carboxylate Traditional Name: 4-[4-(4-chlorobutanoyl)-3-methyl-piperazine-1-carbonyl]-6-(methoxymethyl)-2-phenyl-pyrimidine-5-carboxylic acid methyl ester Formula: C24H29ClN4O5 MolecularWeight: 488.96386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCCCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)COC)C(=O)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CCCCl)C(=O)C2=C(C(=NC(=N2)C3=CC=CC=C3)COC)C(=O)OC

InChI

InChI=1S/C24H29ClN4O5/c1-16-14-28(12-13-29(16)19(30)10-7-11-25)23(31)21-20(24(32)34-3)18(15-33-2)26-22(27-21)17-8-5-4-6-9-17/h4-6,8-9,16H,7,10-15H2,1-3H3