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

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C14H14N6O2S2 MolecularWeight: 362.42996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CC(=N3)N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC(=CC(=N3)N)N

InChI

InChI=1S/C14H14N6O2S2/c1-22-7-2-3-8-9(4-7)24-14(17-8)20-12(21)6-23-13-18-10(15)5-11(16)19-13/h2-5H,6H2,1H3,(H,17,20,21)(H4,15,16,18,19)