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

Systemtic Name: ethyl 3-ethyl-6-(3-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-ethyl-4-[(3-methylpiperazin-1-yl)methyl]-6-(m-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-6-(3-methylphenyl)-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-6-(3-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-keto-4-[(3-methylpiperazino)methyl]-6-(m-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=C2)C)C(=O)OCC)CN3CCNC(C3)C

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)C)C(=O)OCC)CN3CCNC(C3)C

InChI

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