[4-[(9-cyclopentyl-6-phenylazanyl-purin-2-yl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[(9-cyclopentyl-6-phenylazanyl-purin-2-yl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[(6-anilino-9-cyclopentyl-purin-2-yl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [4-[(6-anilino-9-cyclopentyl-2-purinyl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[(6-anilino-9-cyclopentylpurin-2-yl)amino]-1-hydroxy-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[(6-anilino-9-cyclopentyl-purin-2-yl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C20H28N6O7P2 MolecularWeight: 526.419842

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1CCC(C1)N2C=NC3=C2N=C(N=C3NC4=CC=CC=C4)NCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C20H28N6O7P2/c27-20(34(28,29)30,35(31,32)33)11-6-12-21-19-24-17(23-14-7-2-1-3-8-14)16-18(25-19)26(13-22-16)15-9-4-5-10-15/h1-3,7-8,13,15,27H,4-6,9-12H2,(H2,28,29,30)(H2,31,32,33)(H2,21,23,24,25)