(2R)-3,3-dimethyl-2-oxidanyl-N-[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]butanamide; 7H-purin-6-amine

Systemtic Name: (2R)-3,3-dimethyl-2-oxidanyl-N-[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]butanamide; 7H-purin-6-amine Openeye Name: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide; 7H-purin-6-amine CAS Name: (2R)-2-hydroxy-N-[3-(2-mercaptoethylamino)-3-oxopropyl]-3,3-dimethylbutanamide; 7H-purin-6-amine IUPAC Name: (2R)-2-hydroxy-3,3-dimethyl-N-[3-oxo-3-(2-sulfanylethylamino)propyl]butanamide; 7H-purin-6-amine Traditional Name: 7H-adenine; (2R)-2-hydroxy-N-[3-keto-3-(2-mercaptoethylamino)propyl]-3,3-dimethyl-butyramide Formula: C16H27N7O3S MolecularWeight: 397.49568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NCCC(=O)NCCS)O.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

CC(C)(C)[C@H](C(=O)NCCC(=O)NCCS)O.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C11H22N2O3S.C5H5N5/c1-11(2,3)9(15)10(16)13-5-4-8(14)12-6-7-17;6-4-3-5(9-1-7-3)10-2-8-4/h9,15,17H,4-7H2,1-3H3,(H,12,14)(H,13,16);1-2H,(H3,6,7,8,9,10)/t9-;/m0./s1