N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-furan-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3-cyano-4,5-dimethyl-2-furanyl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-furyl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H12N6O2S MolecularWeight: 328.34908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1C#N)NC(=O)CSC2=NC=NC3=C2NC=N3)C

Isomeric SMILES

CC1=C(OC(=C1C#N)NC(=O)CSC2=NC=NC3=C2NC=N3)C

InChI

InChI=1S/C14H12N6O2S/c1-7-8(2)22-13(9(7)3-15)20-10(21)4-23-14-11-12(17-5-16-11)18-6-19-14/h5-6H,4H2,1-2H3,(H,20,21)(H,16,17,18,19)