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

Systemtic Name: [[4-[(9-ethyl-2-propan-2-yloxy-purin-6-yl)amino]phenyl]-oxidanyl-phosphoroso-methyl]phosphonic acid Openeye Name: [[4-[(9-ethyl-2-isopropoxy-purin-6-yl)amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid CAS Name: [[4-[(9-ethyl-2-propan-2-yloxy-6-purinyl)amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid IUPAC Name: [[4-[(9-ethyl-2-propan-2-yloxypurin-6-yl)amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid Traditional Name: [[4-[(9-ethyl-2-isopropoxy-purin-6-yl)amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid Formula: C17H21N5O6P2 MolecularWeight: 453.326062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(O)(P=O)P(=O)(O)O)OC(C)C

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(O)(P=O)P(=O)(O)O)OC(C)C

InChI

InChI=1S/C17H21N5O6P2/c1-4-22-9-18-13-14(20-16(21-15(13)22)28-10(2)3)19-12-7-5-11(6-8-12)17(23,29-24)30(25,26)27/h5-10,23H,4H2,1-3H3,(H,19,20,21)(H2,25,26,27)