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

Systemtic Name: [3-(4-azanyl-6-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-oxidanyl-butoxy]methylphosphonic acid Openeye Name: [3-(4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid CAS Name: [3-(4-amino-6-phenyl-7-pyrrolo[2,3-d]pyrimidinyl)-4-hydroxybutoxy]methylphosphonic acid IUPAC Name: [3-(4-amino-6-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxybutoxy]methylphosphonic acid Traditional Name: [3-(4-amino-6-phenyl-pyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-butoxy]methylphosphonic acid Formula: C17H21N4O5P MolecularWeight: 392.346201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N4O5P/c18-16-14-8-15(12-4-2-1-3-5-12)21(17(14)20-10-19-16)13(9-22)6-7-26-11-27(23,24)25/h1-5,8,10,13,22H,6-7,9,11H2,(H2,18,19,20)(H2,23,24,25)