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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-phenylethyl]ammonium Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH2+]C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH2+][C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C20H23N3O4/c1-3-26-19(24)17-15(12-21-13(2)14-8-5-4-6-9-14)22-20(25)23-18(17)16-10-7-11-27-16/h4-11,13,18,21H,3,12H2,1-2H3,(H2,22,23,25)/p+1/t13-,18-/m1/s1