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

Systemtic Name: ethyl 6-(azepan-1-ylmethyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(azepan-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-azepanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(azepan-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(azepan-1-ylmethyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C14H23N3O3 MolecularWeight: 281.35072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCCCC2

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CN2CCCCCC2

InChI

InChI=1S/C14H23N3O3/c1-2-20-13(18)11-9-15-14(19)16-12(11)10-17-7-5-3-4-6-8-17/h2-10H2,1H3,(H2,15,16,19)