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

Systemtic Name: 2-azanyl-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyl-oxolan-2-yl]-3H-purin-6-one Openeye Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyl-tetrahydrofuran-2-yl]-3H-purin-6-one CAS Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-mercapto-2-oxolanyl]-3H-purin-6-one IUPAC Name: 2-amino-9-[(2R,5R)-5-(hydroxymethyl)-4-sulfanyloxolan-2-yl]-3H-purin-6-one Traditional Name: 2-amino-9-[(2R,5R)-4-mercapto-5-methylol-tetrahydrofuran-2-yl]-3H-purin-6-one Formula: C10H13N5O3S MolecularWeight: 283.30692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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