[3-[6-(aminomethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-phenylsulfanylethyl)azanium

Systemtic Name: [3-[6-(aminomethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-phenylsulfanylethyl)azanium Openeye Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-phenylsulfanylethyl)ammonium CAS Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: [3-[6-(aminomethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(2-phenylsulfanylethyl)azanium Traditional Name: [3-[6-(aminomethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-[2-(phenylthio)ethyl]ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCSC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CN

Isomeric SMILES

C[NH+](CCSC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CN

InChI

InChI=1S/C21H24N4OS/c1-25(10-11-27-19-8-3-2-4-9-19)15-16-6-5-7-17(12-16)21-23-18(14-22)13-20(26)24-21/h2-9,12-13H,10-11,14-15,22H2,1H3,(H,23,24,26)/p+1