[5-[6-azanyl-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-8-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[6-azanyl-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-8-yl]furan-2-yl]phosphonic acid Openeye Name: [5-[6-amino-9-(2,2-dimethylpropyl)-2-methylsulfanyl-purin-8-yl]-2-furyl]phosphonic acid CAS Name: [5-[6-amino-9-(2,2-dimethylpropyl)-2-(methylthio)-8-purinyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[6-amino-9-(2,2-dimethylpropyl)-2-methylsulfanylpurin-8-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[6-amino-2-(methylthio)-9-neopentyl-purin-8-yl]-2-furyl]phosphonic acid Formula: C15H20N5O4PS MolecularWeight: 397.389161

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CC(C)(C)CN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C15H20N5O4PS/c1-15(2,3)7-20-12(8-5-6-9(24-8)25(21,22)23)17-10-11(16)18-14(26-4)19-13(10)20/h5-6H,7H2,1-4H3,(H2,16,18,19)(H2,21,22,23)