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

Systemtic Name: [4-[(2-cyclopentyl-9-propan-2-yl-purin-6-yl)amino]phenyl]phosphonic acid Openeye Name: [4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]phosphonic acid CAS Name: [4-[(2-cyclopentyl-9-propan-2-yl-6-purinyl)amino]phenyl]phosphonic acid IUPAC Name: [4-[(2-cyclopentyl-9-propan-2-ylpurin-6-yl)amino]phenyl]phosphonic acid Traditional Name: [4-[(2-cyclopentyl-9-isopropyl-purin-6-yl)amino]phenyl]phosphonic acid Formula: C19H24N5O3P MolecularWeight: 401.399321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N5O3P/c1-12(2)24-11-20-16-18(21-14-7-9-15(10-8-14)28(25,26)27)22-17(23-19(16)24)13-5-3-4-6-13/h7-13H,3-6H2,1-2H3,(H,21,22,23)(H2,25,26,27)