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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxysulfonyl ethanoate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxysulfonyl acetate CAS Name: acetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethoxysulfonyl ester IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethoxysulfonyl acetate Traditional Name: acetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethoxysulfonyl ester Formula: C14H19N4O5S2+ MolecularWeight: 387.45446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N4O5S2/c1-9-13(4-5-22-25(20,21)23-11(3)19)24-8-18(9)7-12-6-16-10(2)17-14(12)15/h6,8H,4-5,7H2,1-3H3,(H2,15,16,17)/q+1