3-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-dimethyl-propan-1-amine

Systemtic Name: 3-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-dimethyl-propan-1-amine Openeye Name: 3-[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]sulfanyl-N,N-dimethyl-propan-1-amine CAS Name: 3-[[6-(1-adamantyl)-2-methyl-4-pyrimidinyl]thio]-N,N-dimethyl-1-propanamine IUPAC Name: 3-[6-(1-adamantyl)-2-methylpyrimidin-4-yl]sulfanyl-N,N-dimethylpropan-1-amine Traditional Name: 3-[[6-(1-adamantyl)-2-methyl-pyrimidin-4-yl]thio]propyl-dimethyl-amine Formula: C20H31N3S MolecularWeight: 345.54524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)SCCCN(C)C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NC(=CC(=N1)SCCCN(C)C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H31N3S/c1-14-21-18(10-19(22-14)24-6-4-5-23(2)3)20-11-15-7-16(12-20)9-17(8-15)13-20/h10,15-17H,4-9,11-13H2,1-3H3