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

Systemtic Name: [[4-[(2-cyclopentyl-9-propan-2-yl-purin-6-yl)amino]phenyl]-ethoxy-phosphoroso-methyl]phosphonic acid Openeye Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-ethoxy-phosphoroso-methyl]phosphonic acid CAS Name: [[4-[(2-cyclopentyl-9-propan-2-yl-6-purinyl)amino]phenyl]-ethoxy-phosphorosomethyl]phosphonic acid IUPAC Name: [[4-[(2-cyclopentyl-9-propan-2-ylpurin-6-yl)amino]phenyl]-ethoxy-phosphorosomethyl]phosphonic acid Traditional Name: [[4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]-ethoxy-phosphoroso-methyl]phosphonic acid Formula: C22H29N5O5P2 MolecularWeight: 505.443682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)C4CCCC4)(P=O)P(=O)(O)O

Isomeric SMILES

CCOC(C1=CC=C(C=C1)NC2=NC(=NC3=C2N=CN3C(C)C)C4CCCC4)(P=O)P(=O)(O)O

InChI

InChI=1S/C22H29N5O5P2/c1-4-32-22(33-28,34(29,30)31)16-9-11-17(12-10-16)24-20-18-21(27(13-23-18)14(2)3)26-19(25-20)15-7-5-6-8-15/h9-15H,4-8H2,1-3H3,(H,24,25,26)(H2,29,30,31)