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

Systemtic Name: ethyl (4S)-6-(azepan-1-ylmethyl)-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-(azepan-1-ylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-(1-azepanylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-(azepan-1-ylmethyl)-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-(azepan-1-ylmethyl)-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H25N3O3 MolecularWeight: 295.3773

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CN2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)CN2CCCCCC2

InChI

InChI=1S/C15H25N3O3/c1-3-21-14(19)13-11(2)16-15(20)17-12(13)10-18-8-6-4-5-7-9-18/h11H,3-10H2,1-2H3,(H2,16,17,20)/t11-/m0/s1