2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)ethanoate chloride hydrochloride

Systemtic Name: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)ethanoate chloride hydrochloride Openeye Name: 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)acetate chloride hydrochloride CAS Name: 2-(1-adamantyl)acetic acid 2-[3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester chloride hydrochloride IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 2-(1-adamantyl)acetate chloride hydrochloride Traditional Name: 2-(1-adamantyl)acetic acid 2-[3-[(4-amino-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester chloride hydrochloride Formula: C24H34Cl2N4O2S MolecularWeight: 513.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.Cl.[Cl-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CC34CC5CC(C3)CC(C5)C4.Cl.[Cl-]

InChI

InChI=1S/C24H33N4O2S.2ClH/c1-15-21(31-14-28(15)13-20-12-26-16(2)27-23(20)25)3-4-30-22(29)11-24-8-17-5-18(9-24)7-19(6-17)10-24;;/h12,14,17-19H,3-11,13H2,1-2H3,(H2,25,26,27);2*1H/q+1;;/p-1