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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-oxidanylidenepropanoate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-oxopropanoate CAS Name: 2-oxopropanoic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-oxopropanoate Traditional Name: 2-ketopropionic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C15H19N4O3S+ MolecularWeight: 335.40136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N4O3S/c1-9-13(4-5-22-15(21)10(2)20)23-8-19(9)7-12-6-17-11(3)18-14(12)16/h6,8H,4-5,7H2,1-3H3,(H2,16,17,18)/q+1