[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4,6-dimethyl-2-pyrimidinyl)thio]acetic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)thio]acetic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)OCC(=O)NCC23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H29N3O3S/c1-13-3-14(2)24-20(23-13)28-11-19(26)27-10-18(25)22-12-21-7-15-4-16(8-21)6-17(5-15)9-21/h3,15-17H,4-12H2,1-2H3,(H,22,25)