7-[[(4-methylsulfanyl-2-oxidanyl-butyl)amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-[[(4-methylsulfanyl-2-oxidanyl-butyl)amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[[(2-hydroxy-4-methylsulfanyl-butyl)amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-[[[2-hydroxy-4-(methylthio)butyl]amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 7-[[(2-hydroxy-4-methylsulfanylbutyl)amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-[[[2-hydroxy-4-(methylthio)butyl]amino]methyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(CNCC1=CNC2=C1NC=NC2=O)O

Isomeric SMILES

CSCCC(CNCC1=CNC2=C1NC=NC2=O)O

InChI

InChI=1S/C12H18N4O2S/c1-19-3-2-9(17)6-13-4-8-5-14-11-10(8)15-7-16-12(11)18/h5,7,9,13-14,17H,2-4,6H2,1H3,(H,15,16,18)