2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-3-methyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-5H-purin-6-yl)sulfanyl]-3-methyl-butanoic acid Openeye Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]-3-methyl-butanoic acid CAS Name: 2-[(2-amino-5H-purin-6-yl)thio]-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-5H-purin-6-yl)sulfanyl]-3-methylbutanoic acid Traditional Name: 2-[(2-amino-5H-purin-6-yl)thio]-3-methyl-butyric acid Formula: C10H13N5O2S MolecularWeight: 267.30752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)SC1=NC(=NC2=NC=NC21)N

Isomeric SMILES

CC(C)C(C(=O)O)SC1=NC(=NC2=NC=NC21)N

InChI

InChI=1S/C10H13N5O2S/c1-4(2)6(9(16)17)18-8-5-7(13-3-12-5)14-10(11)15-8/h3-6H,1-2H3,(H,16,17)(H2,11,12,13,14)