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

Systemtic Name: [3-(4-azanyl-6-chloranyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-amino-6-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(4-amino-6-chloro-7-pyrrolo[2,3-d]pyrimidinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-chloropyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(4-amino-6-chloro-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C11H16ClN4O5P MolecularWeight: 350.695301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16ClN4O5P/c12-9-3-8-10(13)14-5-15-11(8)16(9)7(4-17)1-2-21-6-22(18,19)20/h3,5,7,17H,1-2,4,6H2,(H2,13,14,15)(H2,18,19,20)