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

Systemtic Name: [[4-[[2-fluoranyl-9-[2-(3-hydroxyphenyl)ethyl]purin-6-yl]amino]phenyl]-oxidanyl-phosphoroso-methyl]phosphonic acid Openeye Name: [[4-[[2-fluoro-9-[2-(3-hydroxyphenyl)ethyl]purin-6-yl]amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid CAS Name: [[4-[[2-fluoro-9-[2-(3-hydroxyphenyl)ethyl]-6-purinyl]amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid IUPAC Name: [[4-[[2-fluoro-9-[2-(3-hydroxyphenyl)ethyl]purin-6-yl]amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid Traditional Name: [[4-[[2-fluoro-9-[2-(3-hydroxyphenyl)ethyl]purin-6-yl]amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid Formula: C20H18FN5O6P2 MolecularWeight: 505.332745

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCN2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(O)(P=O)P(=O)(O)O)F

Isomeric SMILES

C1=CC(=CC(=C1)O)CCN2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)C(O)(P=O)P(=O)(O)O)F

InChI

InChI=1S/C20H18FN5O6P2/c21-19-24-17(23-14-6-4-13(5-7-14)20(28,33-29)34(30,31)32)16-18(25-19)26(11-22-16)9-8-12-2-1-3-15(27)10-12/h1-7,10-11,27-28H,8-9H2,(H,23,24,25)(H2,30,31,32)