[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-(2-phenoxyethyl)ammonium Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+](C)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O5/c1-3-27-20(25)18-16(22-21(26)23-19(18)17-10-7-12-29-17)14-24(2)11-13-28-15-8-5-4-6-9-15/h4-10,12,19H,3,11,13-14H2,1-2H3,(H2,22,23,26)/p+1/t19-/m1/s1