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

Systemtic Name: N-(1-adamantyl)-2-[(5-cyano-6-methyl-2-oxidanylidene-1H-pyrimidin-4-yl)sulfanyl]ethanamide Openeye Name: N-(1-adamantyl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide CAS Name: N-(1-adamantyl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)thio]acetamide IUPAC Name: N-(1-adamantyl)-2-[(5-cyano-6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]acetamide Traditional Name: N-(1-adamantyl)-2-[(5-cyano-2-keto-6-methyl-1H-pyrimidin-4-yl)thio]acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC(=O)NC23CC4CC(C2)CC(C4)C3)C#N

InChI

InChI=1S/C18H22N4O2S/c1-10-14(8-19)16(21-17(24)20-10)25-9-15(23)22-18-5-11-2-12(6-18)4-13(3-11)7-18/h11-13H,2-7,9H2,1H3,(H,22,23)(H,20,21,24)