2-[3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-1,3-thiazol-3-ium-2-yl]ethanol

Systemtic Name: 2-[3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-1,3-thiazol-3-ium-2-yl]ethanol Openeye Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]thiazol-3-ium-2-yl]ethanol CAS Name: 2-[3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-2-thiazol-3-iumyl]ethanol IUPAC Name: 2-[3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]-1,3-thiazol-3-ium-2-yl]ethanol Traditional Name: 2-[3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]thiazol-3-ium-2-yl]ethanol Formula: C12H18N4OS+2 MolecularWeight: 266.36252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(SC=C2)CCO)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)C[N+]2=C(SC=C2)CCO)C

InChI

InChI=1S/C12H17N4OS/c1-9-14-12(13)10(7-15(9)2)8-16-4-6-18-11(16)3-5-17/h4,6-7,13,17H,3,5,8H2,1-2H3/q+1/p+1