N-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]pyrimidin-2-amine

Systemtic Name: N-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]pyrimidin-2-amine Openeye Name: N-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]pyrimidin-2-amine CAS Name: N-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]-2-pyrimidinamine IUPAC Name: N-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]pyrimidin-2-amine Traditional Name: 2-pyrimidyl-[(5S,7R)-3-(1,2,4-triazol-1-yl)-1-adamantyl]amine Formula: C16H20N6 MolecularWeight: 296.3702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)N4C=NC=N4)NC5=NC=CC=N5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)N4C=NC=N4)NC5=NC=CC=N5

InChI

InChI=1S/C16H20N6/c1-2-18-14(19-3-1)21-15-5-12-4-13(6-15)8-16(7-12,9-15)22-11-17-10-20-22/h1-3,10-13H,4-9H2,(H,18,19,21)/t12-,13+,15?,16?