ethyl (4S)-6-(azocan-1-ylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-(azocan-1-ylmethyl)-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(azocan-1-ylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-azocanylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(azocan-1-ylmethyl)-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(azocan-1-ylmethyl)-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H29N3O3 MolecularWeight: 323.43046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CN2CCCCCCC2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)CN2CCCCCCC2)C(=O)OCC

InChI

InChI=1S/C17H29N3O3/c1-3-13-15(16(21)23-4-2)14(19-17(22)18-13)12-20-10-8-6-5-7-9-11-20/h13H,3-12H2,1-2H3,(H2,18,19,22)/t13-/m0/s1