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

Systemtic Name: [1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid Formula: C18H22N5O5PS MolecularWeight: 451.436541

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

Isomeric SMILES

CC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

InChI

InChI=1S/C18H22N5O5PS/c1-11-7-18(11,28-10-29(24,25)26)8-23-9-20-14-15(23)21-17(19)22-16(14)30-13-5-3-12(27-2)4-6-13/h3-6,9,11H,7-8,10H2,1-2H3,(H2,19,21,22)(H2,24,25,26)