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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl butanoate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl butanoate CAS Name: butanoic 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 butanoate Traditional Name: butyric acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C16H23N4O2S+ MolecularWeight: 335.44442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C

Isomeric SMILES

CCCC(=O)OCCC1=C([N+](=CS1)CC2=CN=C(N=C2N)C)C

InChI

InChI=1S/C16H23N4O2S/c1-4-5-15(21)22-7-6-14-11(2)20(10-23-14)9-13-8-18-12(3)19-16(13)17/h8,10H,4-7,9H2,1-3H3,(H2,17,18,19)/q+1