2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one

Systemtic Name: 2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Openeye Name: 2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one CAS Name: 2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one IUPAC Name: 2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Traditional Name: 2-(diethylaminomethyl)-7-methyl-8H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-4-ium-5-one Formula: C11H17N4OS+ MolecularWeight: 253.34388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=N[N+]2=C(S1)NC(=CC2=O)C

Isomeric SMILES

CCN(CC)CC1=N[N+]2=C(S1)NC(=CC2=O)C

InChI

InChI=1S/C11H16N4OS/c1-4-14(5-2)7-9-13-15-10(16)6-8(3)12-11(15)17-9/h6H,4-5,7H2,1-3H3/p+1