2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; butanedioic acid

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; butanedioic acid Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanol; succinic acid CAS Name: 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanol; butanedioic acid IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol; butanedioic acid Traditional Name: succinic acid; thiamin Formula: C16H23N4O5S+ MolecularWeight: 383.44262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N4OS.C4H6O4/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;5-3(6)1-2-4(7)8/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1-2H2,(H,5,6)(H,7,8)/q+1;