N-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-pyrimidin-2-ylsulfanyl-propanamide CAS Name: N-(1-adamantyl)-2-(2-pyrimidinylthio)propanamide IUPAC Name: N-(1-adamantyl)-2-pyrimidin-2-ylsulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-(2-pyrimidylthio)propionamide Formula: C17H23N3OS MolecularWeight: 317.44902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CC=N4

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=CC=N4

InChI

InChI=1S/C17H23N3OS/c1-11(22-16-18-3-2-4-19-16)15(21)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h2-4,11-14H,5-10H2,1H3,(H,20,21)