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

Systemtic Name: 2-azanyl-9-[(2R,3S,4S,5R)-5-(hydroxymethyl)-3-oxidanyl-4-sulfanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-mercapto-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,3S,4S,5R)-3-hydroxy-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,3S,4S,5R)-3-hydroxy-4-mercapto-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C10H13N5O4S MolecularWeight: 299.30632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1C3C(C(C(O3)CO)S)O)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)S)O)NC(=NC2=O)N

InChI

InChI=1S/C10H13N5O4S/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(20)3(1-16)19-9/h2-3,5-6,9,16-17,20H,1H2,(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1