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

Systemtic Name: ethyl (4R)-6-(azepan-1-ium-1-ylmethyl)-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-6-(azepan-1-ium-1-ylmethyl)-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-(1-azepan-1-iumylmethyl)-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-6-(azepan-1-ium-1-ylmethyl)-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-6-(azepan-1-ium-1-ylmethyl)-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C19H28N3O4+ MolecularWeight: 362.44332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C[NH+]3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(O2)C)C[NH+]3CCCCCC3

InChI

InChI=1S/C19H27N3O4/c1-3-25-18(23)16-14(12-22-10-6-4-5-7-11-22)20-19(24)21-17(16)15-9-8-13(2)26-15/h8-9,17H,3-7,10-12H2,1-2H3,(H2,20,21,24)/p+1/t17-/m0/s1