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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl pyridine-3-carboxylate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic 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 pyridine-3-carboxylate Traditional Name: nicotinic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C18H20N5O2S+ MolecularWeight: 370.4487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C3=CN=CC=C3

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H20N5O2S/c1-12-16(5-7-25-18(24)14-4-3-6-20-8-14)26-11-23(12)10-15-9-21-13(2)22-17(15)19/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H2,19,21,22)/q+1