N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-N-(2-cyanoethyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H30N4O2S/c1-2-4-18-10-19(27)25-21(24-18)29-14-20(28)26(6-3-5-23)22-11-15-7-16(12-22)9-17(8-15)13-22/h10,15-17H,2-4,6-9,11-14H2,1H3,(H,24,25,27)