[[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxy-purin-6-yl]amino]phenyl]-oxidanyl-phosphoroso-methyl]phosphonic acid

Systemtic Name: [[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxy-purin-6-yl]amino]phenyl]-oxidanyl-phosphoroso-methyl]phosphonic acid Openeye Name: [hydroxy-[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-isopropoxy-purin-6-yl]amino]phenyl]-phosphoroso-methyl]phosphonic acid CAS Name: [hydroxy-[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxy-6-purinyl]amino]phenyl]-phosphorosomethyl]phosphonic acid IUPAC Name: [hydroxy-[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-propan-2-yloxypurin-6-yl]amino]phenyl]-phosphorosomethyl]phosphonic acid Traditional Name: [hydroxy-[4-[[9-[2-(3-hydroxyphenyl)ethyl]-2-isopropoxy-purin-6-yl]amino]phenyl]-phosphoroso-methyl]phosphonic acid Formula: C23H25N5O7P2 MolecularWeight: 545.421422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(O)(P=O)P(=O)(O)O)N=CN2CCC4=CC(=CC=C4)O

Isomeric SMILES

CC(C)OC1=NC2=C(C(=N1)NC3=CC=C(C=C3)C(O)(P=O)P(=O)(O)O)N=CN2CCC4=CC(=CC=C4)O

InChI

InChI=1S/C23H25N5O7P2/c1-14(2)35-22-26-20(25-17-8-6-16(7-9-17)23(30,36-31)37(32,33)34)19-21(27-22)28(13-24-19)11-10-15-4-3-5-18(29)12-15/h3-9,12-14,29-30H,10-11H2,1-2H3,(H,25,26,27)(H2,32,33,34)