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

Systemtic Name: [[4-[(2-cyclopentyl-9-propan-2-yl-purin-6-yl)amino]phenyl]-oxidanyl-phosphoroso-methyl]phosphonic acid Openeye Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid CAS Name: [[4-[(2-cyclopentyl-9-propan-2-yl-6-purinyl)amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid IUPAC Name: [[4-[(2-cyclopentyl-9-propan-2-ylpurin-6-yl)amino]phenyl]-hydroxy-phosphorosomethyl]phosphonic acid Traditional Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-hydroxy-phosphoroso-methyl]phosphonic acid Formula: C20H25N5O5P2 MolecularWeight: 477.390522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O5P2/c1-12(2)25-11-21-16-18(23-17(24-19(16)25)13-5-3-4-6-13)22-15-9-7-14(8-10-15)20(26,31-27)32(28,29)30/h7-13,26H,3-6H2,1-2H3,(H,22,23,24)(H2,28,29,30)