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(5S,7R)-3-[(3-pyrimidin-2-yloxyphenyl)methylamino]adamantan-1-ol

(5S,7R)-3-[(3-pyrimidin-2-yloxyphenyl)methylamino]adamantan-1-ol

Systemtic Name:(5S,7R)-3-[(3-pyrimidin-2-yloxyphenyl)methylamino]adamantan-1-ol
Openeye Name:(5S,7R)-3-[(3-pyrimidin-2-yloxyphenyl)methylamino]adamantan-1-ol
CAS Name:(5S,7R)-3-[[3-(2-pyrimidinyloxy)phenyl]methylamino]-1-adamantanol
IUPAC Name:(5S,7R)-3-[(3-pyrimidin-2-yloxyphenyl)methylamino]adamantan-1-ol
Traditional Name:(5S,7R)-3-[[3-(2-pyrimidyloxy)benzyl]amino]adamantan-1-ol
Formula: C21H25N3O2
MolecularWeight: 351.4421
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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)NCC4=CC(=CC=C4)OC5=NC=CC=N5


Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)NCC4=CC(=CC=C4)OC5=NC=CC=N5


InChI

InChI=1S/C21H25N3O2/c25-21-11-16-7-17(12-21)10-20(9-16,14-21)24-13-15-3-1-4-18(8-15)26-19-22-5-2-6-23-19/h1-6,8,16-17,24-25H,7,9-14H2/t16-,17+,20?,21?


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