pyridin-3-ylmethyl-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]-(thiophen-2-ylmethyl)azanium

Systemtic Name: pyridin-3-ylmethyl-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 3-pyridylmethyl-[(5-pyrimidin-2-ylsulfanyl-2-furyl)methyl]-(2-thienylmethyl)ammonium CAS Name: 3-pyridinylmethyl-[[5-(2-pyrimidinylthio)-2-furanyl]methyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: pyridin-3-ylmethyl-[(5-pyrimidin-2-ylsulfanylfuran-2-yl)methyl]-(thiophen-2-ylmethyl)azanium Traditional Name: 3-pyridylmethyl-[[5-(2-pyrimidylthio)-2-furyl]methyl]-(2-thenyl)ammonium Formula: C20H19N4OS2+ MolecularWeight: 395.52106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C[NH+](CC2=CC=C(O2)SC3=NC=CC=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC(=CN=C1)C[NH+](CC2=CC=C(O2)SC3=NC=CC=N3)CC4=CC=CS4

InChI

InChI=1S/C20H18N4OS2/c1-4-16(12-21-8-1)13-24(15-18-5-2-11-26-18)14-17-6-7-19(25-17)27-20-22-9-3-10-23-20/h1-12H,13-15H2/p+1