N-[1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide Openeye Name: N-[1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanamide CAS Name: N-[1-(1-adamantyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]propanamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanamide Traditional Name: N-[1-(1-adamantyl)ethyl]-3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propionamide Formula: C22H33N3OS MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NC(C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H33N3OS/c1-13-19(14(2)24-21(23-13)27-4)5-6-20(26)25-15(3)22-10-16-7-17(11-22)9-18(8-16)12-22/h15-18H,5-12H2,1-4H3,(H,25,26)