[3-[(9-cyclopentyl-6-phenylazanyl-purin-2-yl)amino]propyl-oxidanyl-phosphoryl]methylphosphonic acid

Systemtic Name: [3-[(9-cyclopentyl-6-phenylazanyl-purin-2-yl)amino]propyl-oxidanyl-phosphoryl]methylphosphonic acid Openeye Name: [3-[(6-anilino-9-cyclopentyl-purin-2-yl)amino]propyl-hydroxy-phosphoryl]methylphosphonic acid CAS Name: [3-[(6-anilino-9-cyclopentyl-2-purinyl)amino]propyl-hydroxyphosphoryl]methylphosphonic acid IUPAC Name: [3-[(6-anilino-9-cyclopentylpurin-2-yl)amino]propyl-hydroxyphosphoryl]methylphosphonic acid Traditional Name: [3-[(6-anilino-9-cyclopentyl-purin-2-yl)amino]propyl-hydroxy-phosphoryl]methylphosphonic acid Formula: C20H28N6O5P2 MolecularWeight: 494.421042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NCCCP(=O)(CP(=O)(O)O)O

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NCCCP(=O)(CP(=O)(O)O)O

InChI

InChI=1S/C20H28N6O5P2/c27-32(28,14-33(29,30)31)12-6-11-21-20-24-18(23-15-7-2-1-3-8-15)17-19(25-20)26(13-22-17)16-9-4-5-10-16/h1-3,7-8,13,16H,4-6,9-12,14H2,(H,27,28)(H2,29,30,31)(H2,21,23,24,25)