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

Systemtic Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dimethylphenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,4-dimethylphenyl)-2-keto-3-methyl-4-(piperazinomethyl)-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=C(C=C(C=C2)C)C)C)CN3CCNCC3

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=C(C=C(C=C2)C)C)C)CN3CCNCC3

InChI

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