N-(1-adamantylcarbamoyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]propionamide Formula: C21H30N4O3S MolecularWeight: 418.5529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N4O3S/c1-3-4-16-8-17(26)23-20(22-16)29-12(2)18(27)24-19(28)25-21-9-13-5-14(10-21)7-15(6-13)11-21/h8,12-15H,3-7,9-11H2,1-2H3,(H,22,23,26)(H2,24,25,27,28)