N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine

Systemtic Name: N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine Openeye Name: N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine CAS Name: N-[[3-(2-pyrimidinyloxy)phenyl]methyl]-1-adamantanamine IUPAC Name: N-[(3-pyrimidin-2-yloxyphenyl)methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[3-(2-pyrimidyloxy)benzyl]amine Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC(=CC=C4)OC5=NC=CC=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC(=CC=C4)OC5=NC=CC=N5

InChI

InChI=1S/C21H25N3O/c1-3-15(10-19(4-1)25-20-22-5-2-6-23-20)14-24-21-11-16-7-17(12-21)9-18(8-16)13-21/h1-6,10,16-18,24H,7-9,11-14H2