2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-[(4,6-diamino-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[5-(butylthio)-1,3,4-thiadiazol-2-yl]-2-[(4,6-diaminopyrimidin-2-yl)thio]acetamide Formula: C12H17N7OS3 MolecularWeight: 371.50468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)NC(=O)CSC2=NC(=CC(=N2)N)N

Isomeric SMILES

CCCCSC1=NN=C(S1)NC(=O)CSC2=NC(=CC(=N2)N)N

InChI

InChI=1S/C12H17N7OS3/c1-2-3-4-21-12-19-18-11(23-12)17-9(20)6-22-10-15-7(13)5-8(14)16-10/h5H,2-4,6H2,1H3,(H,17,18,20)(H4,13,14,15,16)