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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(1R)-1-phenylethyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(1R)-1-phenylethyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(1R)-1-phenylethyl]azanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(1R)-1-phenylethyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C[NH+](C)C(C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=C(O2)C)C[NH+](C)[C@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O4/c1-5-28-21(26)19-17(13-25(4)15(3)16-9-7-6-8-10-16)23-22(27)24-20(19)18-12-11-14(2)29-18/h6-12,15,20H,5,13H2,1-4H3,(H2,23,24,27)/p+1/t15-,20-/m1/s1