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

Systemtic Name: ethyl (4S)-6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[[1,3-benzodioxol-5-ylmethyl(cyclopentyl)amino]methyl]-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[[cyclopentyl(piperonyl)amino]methyl]-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN(CC2=CC3=C(C=C2)OCO3)C4CCCC4)C(=O)OCC

InChI

InChI=1S/C23H31N3O5/c1-3-17-21(22(27)29-4-2)18(25-23(28)24-17)13-26(16-7-5-6-8-16)12-15-9-10-19-20(11-15)31-14-30-19/h9-11,16-17H,3-8,12-14H2,1-2H3,(H2,24,25,28)/t17-/m0/s1