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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)-deuteriomethyl]-4-methyl-5-thiazol-3-iumyl]ethanol IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)-deuteriomethyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)-deuterio-methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol Formula: C12H17N4OS+ MolecularWeight: 266.360742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO

Isomeric SMILES

[2H]C(C1=CN=C(N=C1N)C)[N+]2=CSC(=C2C)CCO

InChI

InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1/i6D