2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-thiophen-2-yl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thiophenyl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(3-cyano-4,5-dimethylthiophen-2-yl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(3-cyano-4,5-dimethyl-2-thienyl)acetamide Formula: C14H13N7OS2 MolecularWeight: 359.42932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC3=C(N2)C(=NC=N3)N)C

InChI

InChI=1S/C14H13N7OS2/c1-6-7(2)24-13(8(6)3-15)19-9(22)4-23-14-20-10-11(16)17-5-18-12(10)21-14/h5H,4H2,1-2H3,(H,19,22)(H3,16,17,18,20,21)