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

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-fluoroanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylammonium IUPAC Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-[2-(4-fluoroanilino)-2-keto-ethyl]-methyl-ammonium Formula: C17H22FN4O4+ MolecularWeight: 365.379383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](C)CC(=O)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H21FN4O4/c1-3-26-16(24)13-8-19-17(25)21-14(13)9-22(2)10-15(23)20-12-6-4-11(18)5-7-12/h4-7H,3,8-10H2,1-2H3,(H,20,23)(H2,19,21,25)/p+1