[3-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(4-amino-7-pyrrolo[2,3-d]pyrimidinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C11H17N4O5P MolecularWeight: 316.250241

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C2=C1C(=NC=N2)N)C(CCOCP(=O)(O)O)CO

Isomeric SMILES

C1=CN(C2=C1C(=NC=N2)N)C(CCOCP(=O)(O)O)CO

InChI

InChI=1S/C11H17N4O5P/c12-10-9-1-3-15(11(9)14-6-13-10)8(5-16)2-4-20-7-21(17,18)19/h1,3,6,8,16H,2,4-5,7H2,(H2,12,13,14)(H2,17,18,19)