ethyl 6-(3-chlorophenyl)-3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chlorophenyl)-3-methyl-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(3-chlorophenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chlorophenyl)-2-keto-3-methyl-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H25ClN4O3 MolecularWeight: 392.8798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)C)CN3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC(=CC=C2)Cl)C)CN3CCNCC3

InChI

InChI=1S/C19H25ClN4O3/c1-3-27-18(25)16-15(12-24-9-7-21-8-10-24)23(2)19(26)22-17(16)13-5-4-6-14(20)11-13/h4-6,11,17,21H,3,7-10,12H2,1-2H3,(H,22,26)