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

Systemtic Name: ethyl 3-ethyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-6-(4-isopropylphenyl)-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-2-oxo-4-(1-piperazinylmethyl)-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-2-oxo-4-(piperazin-1-ylmethyl)-6-(4-propan-2-ylphenyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-6-p-cumenyl-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N4O3/c1-5-27-19(15-26-13-11-24-12-14-26)20(22(28)30-6-2)21(25-23(27)29)18-9-7-17(8-10-18)16(3)4/h7-10,16,21,24H,5-6,11-15H2,1-4H3,(H,25,29)