6-(aminomethyl)-2-[3-[[methyl(2-phenylsulfanylethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(aminomethyl)-2-[3-[[methyl(2-phenylsulfanylethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(aminomethyl)-2-[3-[[methyl(2-phenylsulfanylethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-(aminomethyl)-2-[3-[[methyl-[2-(phenylthio)ethyl]amino]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(aminomethyl)-2-[3-[[methyl(2-phenylsulfanylethyl)amino]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(aminomethyl)-2-[3-[[methyl-[2-(phenylthio)ethyl]amino]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC=CC=C1)CC2=CC=CC(=C2)C3=NC(=O)C=C(N3)CN

Isomeric SMILES

CN(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)