2-azanyl-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-3H-purin-6-one; phosphoric acid

Systemtic Name: 2-azanyl-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-3H-purin-6-one; phosphoric acid Openeye Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid CAS Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-mercapto-2-oxolanyl]-3H-purin-6-one; phosphoric acid IUPAC Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-3H-purin-6-one; phosphoric acid Traditional Name: 2-amino-9-[(2R,5R)-4-mercapto-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one; phosphoric acid Formula: C10H22N5O15P3S MolecularWeight: 577.292463

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC1N2C=NC3=C2NC(=NC3=O)N)CO)S.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

Isomeric SMILES

C1[C@@H](O[C@@H](C1S)CO)N2C=NC3=C2NC(=NC3=O)N.OP(=O)(O)O.OP(=O)(O)O.OP(=O)(O)O

InChI

InChI=1S/C10H13N5O3S.3H3O4P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-5(19)4(2-16)18-6;3*1-5(2,3)4/h3-6,16,19H,1-2H2,(H3,11,13,14,17);3*(H3,1,2,3,4)/t4-,5?,6-;;;/m1.../s1