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

Systemtic Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxidanylidene-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-(1-piperazinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,3-dimethoxyphenyl)-3-methyl-2-oxo-4-(piperazin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,3-dimethoxyphenyl)-2-keto-3-methyl-4-(piperazinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H30N4O5 MolecularWeight: 418.4867

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-5-30-20(26)17-15(13-25-11-9-22-10-12-25)24(2)21(27)23-18(17)14-7-6-8-16(28-3)19(14)29-4/h6-8,18,22H,5,9-13H2,1-4H3,(H,23,27)