[[4-[(9-ethyl-2-propan-2-yloxy-purin-6-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [[4-[(9-ethyl-2-propan-2-yloxy-purin-6-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[4-[(9-ethyl-2-isopropoxy-purin-6-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[4-[(9-ethyl-2-propan-2-yloxy-6-purinyl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[4-[(9-ethyl-2-propan-2-yloxypurin-6-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[4-[(9-ethyl-2-isopropoxy-purin-6-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid Formula: C17H23N5O6P2 MolecularWeight: 455.341942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O6P2/c1-4-22-9-18-14-15(20-17(21-16(14)22)28-11(2)3)19-12-5-7-13(8-6-12)29(23,24)10-30(25,26)27/h5-9,11H,4,10H2,1-3H3,(H,23,24)(H,19,20,21)(H2,25,26,27)