(2S)-3-methyl-N-[1-(6-oxidanylidene-1-propyl-7H-purin-8-yl)cyclopentyl]-2-sulfanyl-butanamide

Systemtic Name: (2S)-3-methyl-N-[1-(6-oxidanylidene-1-propyl-7H-purin-8-yl)cyclopentyl]-2-sulfanyl-butanamide Openeye Name: (2S)-3-methyl-N-[1-(6-oxo-1-propyl-7H-purin-8-yl)cyclopentyl]-2-sulfanyl-butanamide CAS Name: (2S)-2-mercapto-3-methyl-N-[1-(6-oxo-1-propyl-7H-purin-8-yl)cyclopentyl]butanamide IUPAC Name: (2S)-3-methyl-N-[1-(6-oxo-1-propyl-7H-purin-8-yl)cyclopentyl]-2-sulfanylbutanamide Traditional Name: (2S)-N-[1-(6-keto-1-propyl-7H-purin-8-yl)cyclopentyl]-2-mercapto-3-methyl-butyramide Formula: C18H27N5O2S MolecularWeight: 377.50428

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C(C1=O)NC(=N2)C3(CCCC3)NC(=O)C(C(C)C)S

Isomeric SMILES

CCCN1C=NC2=C(C1=O)NC(=N2)C3(CCCC3)NC(=O)[C@H](C(C)C)S

InChI

InChI=1S/C18H27N5O2S/c1-4-9-23-10-19-14-12(16(23)25)20-17(21-14)18(7-5-6-8-18)22-15(24)13(26)11(2)3/h10-11,13,26H,4-9H2,1-3H3,(H,20,21)(H,22,24)/t13-/m0/s1