N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-(7H-purin-6-ylthio)acetamide Formula: C14H10N6OS2 MolecularWeight: 342.3988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C14H10N6OS2/c21-10(20-14-19-8-3-1-2-4-9(8)23-14)5-22-13-11-12(16-6-15-11)17-7-18-13/h1-4,6-7H,5H2,(H,19,20,21)(H,15,16,17,18)