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

Systemtic Name: ethyl 3-methyl-6-(2-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[(3-methylpiperazin-1-yl)methyl]-6-(o-tolyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-(2-methylphenyl)-4-[(3-methyl-1-piperazinyl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-6-(2-methylphenyl)-4-[(3-methylpiperazin-1-yl)methyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[(3-methylpiperazino)methyl]-6-(o-tolyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCNC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2C)C)CN3CCNC(C3)C

InChI

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