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

Systemtic Name: [[4-[(2-cyclopentyl-9-propan-2-yl-purin-6-yl)amino]phenyl]-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [[4-[(2-cyclopentyl-9-propan-2-yl-6-purinyl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [[4-[(2-cyclopentyl-9-propan-2-ylpurin-6-yl)amino]phenyl]-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-hydroxy-phosphoryl]methylphosphonic acid Formula: C20H27N5O5P2 MolecularWeight: 479.406402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)P(=O)(CP(=O)(O)O)O)C4CCCC4

Isomeric SMILES

CC(C)N1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)P(=O)(CP(=O)(O)O)O)C4CCCC4

InChI

InChI=1S/C20H27N5O5P2/c1-13(2)25-11-21-17-19(23-18(24-20(17)25)14-5-3-4-6-14)22-15-7-9-16(10-8-15)31(26,27)12-32(28,29)30/h7-11,13-14H,3-6,12H2,1-2H3,(H,26,27)(H,22,23,24)(H2,28,29,30)