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

Systemtic Name: [[4-[(9-ethyl-2-piperidin-4-yl-purin-6-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[4-[[9-ethyl-2-(4-piperidyl)purin-6-yl]amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[4-[[9-ethyl-2-(4-piperidinyl)-6-purinyl]amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[4-[(9-ethyl-2-piperidin-4-ylpurin-6-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[4-[[9-ethyl-2-(4-piperidyl)purin-6-yl]amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid Formula: C19H26N6O5P2 MolecularWeight: 480.394462

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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)C4CCNCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)P(=O)(CP(=O)(O)O)O)C4CCNCC4

InChI

InChI=1S/C19H26N6O5P2/c1-2-25-11-21-16-18(23-17(24-19(16)25)13-7-9-20-10-8-13)22-14-3-5-15(6-4-14)31(26,27)12-32(28,29)30/h3-6,11,13,20H,2,7-10,12H2,1H3,(H,26,27)(H,22,23,24)(H2,28,29,30)