[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-[(4,6-dimethoxy-2-pyrimidinyl)amino]-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C18H21N4O4S+ MolecularWeight: 389.44874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3)OC

InChI

InChI=1S/C18H20N4O4S/c1-24-16-9-17(25-2)21-18(20-16)19-15(23)12-22(10-13-5-3-7-26-13)11-14-6-4-8-27-14/h3-9H,10-12H2,1-2H3,(H,19,20,21,23)/p+1