2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-propanoic acid

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-2-oxidanyl-propanoic acid Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-2-hydroxy-propanoic acid CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2-thiazol-3-iumyl]-2-hydroxypropanoic acid IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-2-hydroxypropanoic acid Traditional Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-2-yl]-2-hydroxy-propionic acid Formula: C15H21N4O4S+ MolecularWeight: 353.41664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O4S/c1-8-11(4-5-20)24-13(15(3,23)14(21)22)19(8)7-10-6-17-9(2)18-12(10)16/h6,20,23H,4-5,7H2,1-3H3,(H2-,16,17,18,21,22)/p+1