N-(1,3-benzothiazol-2-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C13H12N6OS2 MolecularWeight: 332.40398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6OS2/c14-9-5-10(15)18-12(17-9)21-6-11(20)19-13-16-7-3-1-2-4-8(7)22-13/h1-5H,6H2,(H,16,19,20)(H4,14,15,17,18)