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

Systemtic Name: [1-[[2-azanyl-6-(4-methylphenyl)sulfanyl-purin-9-yl]methyl]-2-methyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(p-tolylsulfanyl)purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-[(4-methylphenyl)thio]-9-purinyl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-methylphenyl)sulfanylpurin-9-yl]methyl]-2-methylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-(p-tolylthio)purin-9-yl]methyl]-2-methyl-cyclopropoxy]methylphosphonic acid Formula: C18H22N5O4PS MolecularWeight: 435.437141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N5O4PS/c1-11-3-5-13(6-4-11)29-16-14-15(21-17(19)22-16)23(9-20-14)8-18(7-12(18)2)27-10-28(24,25)26/h3-6,9,12H,7-8,10H2,1-2H3,(H2,19,21,22)(H2,24,25,26)