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

Systemtic Name: [3-(4-azanyl-6-thiophen-3-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-[4-amino-6-(3-thienyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-[4-amino-6-(3-thiophenyl)-7-pyrrolo[2,3-d]pyrimidinyl]-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-[4-amino-6-(3-thienyl)pyrrolo[2,3-d]pyrimidin-7-yl]-4-hydroxy-butoxy]methylphosphonic acid Formula: C15H19N4O5PS MolecularWeight: 398.373921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=CC3=C(N2C(CCOCP(=O)(O)O)CO)N=CN=C3N

Isomeric SMILES

C1=CSC=C1C2=CC3=C(N2C(CCOCP(=O)(O)O)CO)N=CN=C3N

InChI

InChI=1S/C15H19N4O5PS/c16-14-12-5-13(10-2-4-26-7-10)19(15(12)18-8-17-14)11(6-20)1-3-24-9-25(21,22)23/h2,4-5,7-8,11,20H,1,3,6,9H2,(H2,16,17,18)(H2,21,22,23)