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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethylazanium Traditional Name: benzyl-[[(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-ethyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C([C@H](NC(=O)N2)C3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C21H25N3O4/c1-3-24(13-15-9-6-5-7-10-15)14-16-18(20(25)27-4-2)19(23-21(26)22-16)17-11-8-12-28-17/h5-12,19H,3-4,13-14H2,1-2H3,(H2,22,23,26)/p+1/t19-/m1/s1