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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)C)C)C)CN3CCNC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=CC(=C2)C)C)C)CN3CCNC(C3)C

InChI

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