2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)butanamide

Systemtic Name: 2-[(6-oxidanylidene-3,7-dihydropurin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)butanamide Openeye Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-(2-thienylmethyl)butanamide CAS Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)thio]-N-(thiophen-2-ylmethyl)butanamide IUPAC Name: 2-[(6-oxo-3,7-dihydropurin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)butanamide Traditional Name: 2-[(6-keto-3,7-dihydropurin-2-yl)thio]-N-(2-thenyl)butyramide Formula: C14H15N5O2S2 MolecularWeight: 349.4312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CS1)SC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCC(C(=O)NCC1=CC=CS1)SC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C14H15N5O2S2/c1-2-9(12(20)15-6-8-4-3-5-22-8)23-14-18-11-10(13(21)19-14)16-7-17-11/h3-5,7,9H,2,6H2,1H3,(H,15,20)(H2,16,17,18,19,21)