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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-4-28-21(26)18-16(24-22(27)25-20(18)17-11-8-12-29-17)13-23-19(14(2)3)15-9-6-5-7-10-15/h5-12,14,19-20,23H,4,13H2,1-3H3,(H2,24,25,27)/p+1/t19-,20+/m0/s1