(3S,5R)-3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine

Systemtic Name: (3S,5R)-3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine Openeye Name: (3S,5R)-3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine CAS Name: (3S,5R)-3,5-dimethyl-N-[[3-(2-pyrimidinyloxy)phenyl]methyl]-1-adamantanamine IUPAC Name: (3S,5R)-3,5-dimethyl-N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[3-(2-pyrimidyloxy)benzyl]amine Formula: C23H29N3O MolecularWeight: 363.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)NCC4=CC(=CC=C4)OC5=NC=CC=N5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)NCC4=CC(=CC=C4)OC5=NC=CC=N5)C

InChI

InChI=1S/C23H29N3O/c1-21-10-18-11-22(2,14-21)16-23(12-18,15-21)26-13-17-5-3-6-19(9-17)27-20-24-7-4-8-25-20/h3-9,18,26H,10-16H2,1-2H3/t18?,21-,22+,23?