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

Systemtic Name: ethyl 6-(2,4-dimethylphenyl)-3-ethyl-2-oxidanylidene-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-4-(1-pyrrolidinylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(2,4-dimethylphenyl)-3-ethyl-2-oxo-4-(pyrrolidin-1-ylmethyl)-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2,4-dimethylphenyl)-3-ethyl-2-keto-4-(pyrrolidinomethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H31N3O3 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)C)C)C(=O)OCC)CN3CCCC3

Isomeric SMILES

CCN1C(=C(C(NC1=O)C2=C(C=C(C=C2)C)C)C(=O)OCC)CN3CCCC3

InChI

InChI=1S/C22H31N3O3/c1-5-25-18(14-24-11-7-8-12-24)19(21(26)28-6-2)20(23-22(25)27)17-10-9-15(3)13-16(17)4/h9-10,13,20H,5-8,11-12,14H2,1-4H3,(H,23,27)