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

Systemtic Name: [1-[[2-azanyl-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-ethyl-cyclopropyl]oxymethylphosphonic acid Openeye Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanyl-purin-9-yl]methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid CAS Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]-9-purinyl]methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid IUPAC Name: [1-[[2-amino-6-(4-methoxyphenyl)sulfanylpurin-9-yl]methyl]-2-ethylcyclopropyl]oxymethylphosphonic acid Traditional Name: [1-[[2-amino-6-[(4-methoxyphenyl)thio]purin-9-yl]methyl]-2-ethyl-cyclopropoxy]methylphosphonic acid Formula: C19H24N5O5PS MolecularWeight: 465.463121

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

Isomeric SMILES

CCC1CC1(CN2C=NC3=C2N=C(N=C3SC4=CC=C(C=C4)OC)N)OCP(=O)(O)O

InChI

InChI=1S/C19H24N5O5PS/c1-3-12-8-19(12,29-11-30(25,26)27)9-24-10-21-15-16(24)22-18(20)23-17(15)31-14-6-4-13(28-2)5-7-14/h4-7,10,12H,3,8-9,11H2,1-2H3,(H2,20,22,23)(H2,25,26,27)