ethyl 3-ethyl-6-(2-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-ethyl-6-(2-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(2-methylphenyl)-4-[(4-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(2-methylphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(4-methylpiperazino)methyl]-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C)C(=O)OCC)CN3CCN(CC3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC=CC=C2C)C(=O)OCC)CN3CCN(CC3)C

InChI

InChI=1S/C22H32N4O3/c1-5-26-18(15-25-13-11-24(4)12-14-25)19(21(27)29-6-2)20(23-22(26)28)17-10-8-7-9-16(17)3/h7-10,20H,5-6,11-15H2,1-4H3,(H,23,28)