2-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine

Systemtic Name: 2-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine Openeye Name: 2-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-diethyl-ethanamine CAS Name: 2-[[6-(1-adamantyl)-2-methyl-4-pyrimidinyl]thio]-N,N-diethylethanamine IUPAC Name: 2-[6-(1-adamantyl)-2-methylpyrimidin-4-yl]sulfanyl-N,N-diethylethanamine Traditional Name: 2-[[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]thio]ethyl-diethyl-amine Formula: C21H33N3S MolecularWeight: 359.57182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1=NC(=NC(=C1)C23CC4CC(C2)CC(C4)C3)C

Isomeric SMILES

CCN(CC)CCSC1=NC(=NC(=C1)C23CC4CC(C2)CC(C4)C3)C

InChI

InChI=1S/C21H33N3S/c1-4-24(5-2)6-7-25-20-11-19(22-15(3)23-20)21-12-16-8-17(13-21)10-18(9-16)14-21/h11,16-18H,4-10,12-14H2,1-3H3