N-[(6-azanyl-2-methylsulfanyl-7H-purin-8-yl)carbonyl]-(2,2-dimethylpropoxy)-N-methyl-phosphonamidic acid

Systemtic Name: N-[(6-azanyl-2-methylsulfanyl-7H-purin-8-yl)carbonyl]-(2,2-dimethylpropoxy)-N-methyl-phosphonamidic acid Openeye Name: N-(6-amino-2-methylsulfanyl-7H-purine-8-carbonyl)-(2,2-dimethylpropoxy)-N-methyl-phosphonamidic acid CAS Name: N-[[6-amino-2-(methylthio)-7H-purin-8-yl]-oxomethyl]-(2,2-dimethylpropoxy)-N-methylphosphonamidic acid IUPAC Name: N-(6-amino-2-methylsulfanyl-7H-purine-8-carbonyl)-(2,2-dimethylpropoxy)-N-methylphosphonamidic acid Traditional Name: N-[6-amino-2-(methylthio)-7H-purine-8-carbonyl]-N-methyl-neopentyloxy-phosphonamidic acid Formula: C13H21N6O4PS MolecularWeight: 388.382401

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COP(=O)(N(C)C(=O)C1=NC2=C(N1)C(=NC(=N2)SC)N)O

Isomeric SMILES

CC(C)(C)COP(=O)(N(C)C(=O)C1=NC2=C(N1)C(=NC(=N2)SC)N)O

InChI

InChI=1S/C13H21N6O4PS/c1-13(2,3)6-23-24(21,22)19(4)11(20)10-15-7-8(14)16-12(25-5)18-9(7)17-10/h6H2,1-5H3,(H,21,22)(H3,14,15,16,17,18)