[1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid

Systemtic Name: [1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-propyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-propyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]methyl]-2-propylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]methyl]-2-propylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]methyl]-2-propyl-cyclopropoxy]methylphosphonic acid Formula: C20H26N5O5PS MolecularWeight: 479.489701

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

Isomeric SMILES

CCCC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

InChI

InChI=1S/C20H26N5O5PS/c1-3-4-13-9-20(13,30-12-31(26,27)28)10-25-11-22-16-17(25)23-19(21)24-18(16)32-15-7-5-14(29-2)6-8-15/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H2,21,23,24)(H2,26,27,28)