2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C14H10N6OS2 MolecularWeight: 342.3988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N6OS2/c15-5-8-6-17-13(20-12(8)16)22-7-11(21)19-14-18-9-3-1-2-4-10(9)23-14/h1-4,6H,7H2,(H2,16,17,20)(H,18,19,21)