ethyl 6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[cyclopentyl(piperonyl)amino]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4

InChI

InChI=1S/C21H27N3O5/c1-2-27-20(25)16-10-22-21(26)23-17(16)12-24(15-5-3-4-6-15)11-14-7-8-18-19(9-14)29-13-28-18/h7-9,15H,2-6,10-13H2,1H3,(H2,22,23,26)