[3-(4-azanyl-6-pyrrol-1-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid

Systemtic Name: [3-(4-azanyl-6-pyrrol-1-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-amino-6-pyrrol-1-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-[4-amino-6-(1-pyrrolyl)-7-pyrrolo[2,3-d]pyrimidinyl]-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-pyrrol-1-ylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(4-amino-6-pyrrol-1-yl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C15H20N5O5P MolecularWeight: 381.323561

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC3=C(N2C(CCOCP(=O)(O)O)CO)N=CN=C3N

Isomeric SMILES

C1=CN(C=C1)C2=CC3=C(N2C(CCOCP(=O)(O)O)CO)N=CN=C3N

InChI

InChI=1S/C15H20N5O5P/c16-14-12-7-13(19-4-1-2-5-19)20(15(12)18-9-17-14)11(8-21)3-6-25-10-26(22,23)24/h1-2,4-5,7,9,11,21H,3,6,8,10H2,(H2,16,17,18)(H2,22,23,24)