[4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl]sulfanylphosphonic acid

Systemtic Name: [4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl]sulfanylphosphonic acid Openeye Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl]sulfanylphosphonic acid CAS Name: [[4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl]thio]phosphonic acid IUPAC Name: [4-(2-amino-6-oxo-3H-purin-9-yl)-2-(hydroxymethyl)butyl]sulfanylphosphonic acid Traditional Name: [[4-(2-amino-6-keto-3H-purin-9-yl)-2-methylol-butyl]thio]phosphonic acid Formula: C10H16N5O5PS MolecularWeight: 349.303301

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CCC(CO)CSP(=O)(O)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1CCC(CO)CSP(=O)(O)O)NC(=NC2=O)N

InChI

InChI=1S/C10H16N5O5PS/c11-10-13-8-7(9(17)14-10)12-5-15(8)2-1-6(3-16)4-22-21(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)