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

Systemtic Name: [3-(4-azanyl-6-sulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-amino-6-sulfanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(4-amino-6-mercapto-7-pyrrolo[2,3-d]pyrimidinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-sulfanylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(4-amino-6-mercapto-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C11H17N4O5PS MolecularWeight: 348.315241

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N4O5PS/c12-10-8-3-9(22)15(11(8)14-5-13-10)7(4-16)1-2-20-6-21(17,18)19/h3,5,7,16,22H,1-2,4,6H2,(H2,12,13,14)(H2,17,18,19)