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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CCCCCN1C2=C(C(=NC(=N2)SC)N)N=C1C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C15H20N5O4PS/c1-3-4-5-8-20-13(9-6-7-10(24-9)25(21,22)23)17-11-12(16)18-15(26-2)19-14(11)20/h6-7H,3-5,8H2,1-2H3,(H2,16,18,19)(H2,21,22,23)