(phenylmethyl) 4-[4-(3-chloranylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(3-chloranylpropanoyl)-3-methyl-piperazin-1-yl]carbonyl-2,6-dimethyl-pyrimidine-5-carboxylate Openeye Name: benzyl 4-[4-(3-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylate CAS Name: 4-[[4-(3-chloro-1-oxopropyl)-3-methyl-1-piperazinyl]-oxomethyl]-2,6-dimethyl-5-pyrimidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(3-chloropropanoyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate Traditional Name: 4-[4-(3-chloropropanoyl)-3-methyl-piperazine-1-carbonyl]-2,6-dimethyl-pyrimidine-5-carboxylic acid benzyl ester Formula: C23H27ClN4O4 MolecularWeight: 458.93788

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CCCl)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1CN(CCN1C(=O)CCCl)C(=O)C2=C(C(=NC(=N2)C)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27ClN4O4/c1-15-13-27(11-12-28(15)19(29)9-10-24)22(30)21-20(16(2)25-17(3)26-21)23(31)32-14-18-7-5-4-6-8-18/h4-8,15H,9-14H2,1-3H3