7-[1-[(1-methylsulfanyl-3-oxidanyl-propan-2-yl)amino]-2-oxidanyl-ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Systemtic Name: 7-[1-[(1-methylsulfanyl-3-oxidanyl-propan-2-yl)amino]-2-oxidanyl-ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Openeye Name: 7-[2-hydroxy-1-[[1-(hydroxymethyl)-2-methylsulfanyl-ethyl]amino]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one CAS Name: 7-[2-hydroxy-1-[[1-hydroxy-3-(methylthio)propan-2-yl]amino]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one IUPAC Name: 7-[2-hydroxy-1-[(1-hydroxy-3-methylsulfanylpropan-2-yl)amino]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Traditional Name: 7-[2-hydroxy-1-[[1-methylol-2-(methylthio)ethyl]amino]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidin-4-one Formula: C12H18N4O3S MolecularWeight: 298.36132

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CO)NC(CO)C1=CNC2=C1NC=NC2=O

Isomeric SMILES

CSCC(CO)NC(CO)C1=CNC2=C1NC=NC2=O

InChI

InChI=1S/C12H18N4O3S/c1-20-5-7(3-17)16-9(4-18)8-2-13-11-10(8)14-6-15-12(11)19/h2,6-7,9,13,16-18H,3-5H2,1H3,(H,14,15,19)