N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]adamantan-1-amine

Systemtic Name: N-[(1S)-1-(4-methyl-2-pyridin-4-yl-pyrimidin-5-yl)ethyl]adamantan-1-amine Openeye Name: N-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]adamantan-1-amine CAS Name: N-[(1S)-1-(4-methyl-2-pyridin-4-yl-5-pyrimidinyl)ethyl]-1-adamantanamine IUPAC Name: N-[(1S)-1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]adamantan-1-amine Traditional Name: 1-adamantyl-[(1S)-1-[4-methyl-2-(4-pyridyl)pyrimidin-5-yl]ethyl]amine Formula: C22H28N4 MolecularWeight: 348.48452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C(C)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

Isomeric SMILES

CC1=NC(=NC=C1[C@H](C)NC23CC4CC(C2)CC(C4)C3)C5=CC=NC=C5

InChI

InChI=1S/C22H28N4/c1-14-20(13-24-21(25-14)19-3-5-23-6-4-19)15(2)26-22-10-16-7-17(11-22)9-18(8-16)12-22/h3-6,13,15-18,26H,7-12H2,1-2H3/t15-,16?,17?,18?,22?/m0/s1