N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-[(1R)-1-(1-adamantyl)ethyl]-2-[(5-ethyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C21H31N3O2S MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)SCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)SCC(=O)N[C@H](C)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H31N3O2S/c1-4-17-12(2)22-20(24-19(17)26)27-11-18(25)23-13(3)21-8-14-5-15(9-21)7-16(6-14)10-21/h13-16H,4-11H2,1-3H3,(H,23,25)(H,22,24,26)/t13-,14?,15?,16?,21?/m1/s1