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

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic 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 adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C23H31N4O2S+ MolecularWeight: 427.58284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31N4O2S/c1-14-20(30-13-27(14)12-19-11-25-15(2)26-21(19)24)3-4-29-22(28)23-8-16-5-17(9-23)7-18(6-16)10-23/h11,13,16-18H,3-10,12H2,1-2H3,(H2,24,25,26)/q+1