5-[2-azanyl-6-(propan-2-ylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol

Systemtic Name: 5-[2-azanyl-6-(propan-2-ylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Openeye Name: 5-[2-amino-6-(isopropylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrothiophen-3-ol CAS Name: 5-[2-amino-6-(propan-2-ylamino)-9-purinyl]-2-(hydroxymethyl)-3-thiolanol IUPAC Name: 5-[2-amino-6-(propan-2-ylamino)purin-9-yl]-2-(hydroxymethyl)thiolan-3-ol Traditional Name: 5-[2-amino-6-(isopropylamino)purin-9-yl]-2-methylol-tetrahydrothiophen-3-ol Formula: C13H20N6O2S MolecularWeight: 324.4019

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC2=C1N=CN2C3CC(C(S3)CO)O)N

Isomeric SMILES

CC(C)NC1=NC(=NC2=C1N=CN2C3CC(C(S3)CO)O)N

InChI

InChI=1S/C13H20N6O2S/c1-6(2)16-11-10-12(18-13(14)17-11)19(5-15-10)9-3-7(21)8(4-20)22-9/h5-9,20-21H,3-4H2,1-2H3,(H3,14,16,17,18)