3-[[(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-methylsulfanyl-butane-1,2-diol

Systemtic Name: 3-[[(4-azanyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-methylsulfanyl-butane-1,2-diol Openeye Name: 3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-methylsulfanyl-butane-1,2-diol CAS Name: 3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-(methylthio)butane-1,2-diol IUPAC Name: 3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-methylsulfanylbutane-1,2-diol Traditional Name: 3-[[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methylamino]methyl]-4-(methylthio)butane-1,2-diol Formula: C13H21N5O2S MolecularWeight: 311.40314

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(CNCC1=CNC2=C1N=CN=C2N)C(CO)O

Isomeric SMILES

CSCC(CNCC1=CNC2=C1N=CN=C2N)C(CO)O

InChI

InChI=1S/C13H21N5O2S/c1-21-6-9(10(20)5-19)3-15-2-8-4-16-12-11(8)17-7-18-13(12)14/h4,7,9-10,15-16,19-20H,2-3,5-6H2,1H3,(H2,14,17,18)