[3-(4-azanyl-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(4-azanyl-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-amino-6-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-[4-amino-6-(methylthio)-7-pyrrolo[2,3-d]pyrimidinyl]-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-methylsulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-[4-amino-6-(methylthio)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-butoxy]methylphosphonic acid Formula: C12H19N4O5PS MolecularWeight: 362.341821

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(N1C(CCOCP(=O)(O)O)CO)N=CN=C2N

Isomeric SMILES

CSC1=CC2=C(N1C(CCOCP(=O)(O)O)CO)N=CN=C2N

InChI

InChI=1S/C12H19N4O5PS/c1-23-10-4-9-11(13)14-6-15-12(9)16(10)8(5-17)2-3-21-7-22(18,19)20/h4,6,8,17H,2-3,5,7H2,1H3,(H2,13,14,15)(H2,18,19,20)