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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O5/c1-5-30-20(26)18-17(13-25-8-6-22-7-9-25)24(2)21(27)23-19(18)14-10-15(28-3)12-16(11-14)29-4/h10-12,19,22H,5-9,13H2,1-4H3,(H,23,27)