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

Systemtic Name: ethyl 3-ethyl-6-(3-methylphenyl)-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(m-tolyl)-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-methylphenyl)-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-methylphenyl)-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-(m-tolyl)-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)C)C(=O)OCC)CN3CCNCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)C)C(=O)OCC)CN3CCNCC3

InChI

InChI=1S/C21H30N4O3/c1-4-25-17(14-24-11-9-22-10-12-24)18(20(26)28-5-2)19(23-21(25)27)16-8-6-7-15(3)13-16/h6-8,13,19,22H,4-5,9-12,14H2,1-3H3,(H,23,27)