N4-(1-adamantyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(1-adamantyl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1-adamantyl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1-adamantyl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: 1-adamantyl-[5-amino-6-(3-pyridylmethylamino)pyrimidin-4-yl]amine Formula: C20H26N6 MolecularWeight: 350.46064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CN=CC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CN=CC=C5)N

InChI

InChI=1S/C20H26N6/c21-17-18(23-11-13-2-1-3-22-10-13)24-12-25-19(17)26-20-7-14-4-15(8-20)6-16(5-14)9-20/h1-3,10,12,14-16H,4-9,11,21H2,(H2,23,24,25,26)