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

Systemtic Name: ethyl 6-(azepan-1-ylmethyl)-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-(azepan-1-ylmethyl)-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-(1-azepanylmethyl)-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-(azepan-1-ylmethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-(azepan-1-ylmethyl)-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CN3CCCCCC3

InChI

InChI=1S/C18H25N3O4/c1-2-24-17(22)15-13(12-21-9-5-3-4-6-10-21)19-18(23)20-16(15)14-8-7-11-25-14/h7-8,11,16H,2-6,9-10,12H2,1H3,(H2,19,20,23)