[1-(6-azanyl-2-methyl-8-sulfanylidene-7H-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid

Systemtic Name: [1-(6-azanyl-2-methyl-8-sulfanylidene-7H-purin-9-yl)-3-oxidanyl-propan-2-yl]oxymethylphosphonic acid Openeye Name: [1-[(6-amino-2-methyl-8-thioxo-7H-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid CAS Name: [1-(6-amino-2-methyl-8-sulfanylidene-7H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid IUPAC Name: [1-(6-amino-2-methyl-8-sulfanylidene-7H-purin-9-yl)-3-hydroxypropan-2-yl]oxymethylphosphonic acid Traditional Name: [1-[(6-amino-2-methyl-8-thioxo-7H-purin-9-yl)methyl]-2-hydroxy-ethoxy]methylphosphonic acid Formula: C10H16N5O5PS MolecularWeight: 349.303301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)NC(=S)N2CC(CO)OCP(=O)(O)O

Isomeric SMILES

CC1=NC2=C(C(=N1)N)NC(=S)N2CC(CO)OCP(=O)(O)O

InChI

InChI=1S/C10H16N5O5PS/c1-5-12-8(11)7-9(13-5)15(10(22)14-7)2-6(3-16)20-4-21(17,18)19/h6,16H,2-4H2,1H3,(H,14,22)(H2,11,12,13)(H2,17,18,19)