2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(6-azanyl-7H-purin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(6-amino-7H-purin-8-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C14H11N7OS2 MolecularWeight: 357.41344

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NC4=C(N3)C(=NC=N4)N

InChI

InChI=1S/C14H11N7OS2/c15-11-10-12(17-6-16-11)21-13(20-10)23-5-9(22)19-14-18-7-3-1-2-4-8(7)24-14/h1-4,6H,5H2,(H,18,19,22)(H3,15,16,17,20,21)