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

Systemtic Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1,3-benzodioxol-5-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: 1-adamantyl-[5-amino-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC6=C(C=C5)OCO6)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC6=C(C=C5)OCO6)N

InChI

InChI=1S/C22H27N5O2/c23-19-20(24-10-13-1-2-17-18(6-13)29-12-28-17)25-11-26-21(19)27-22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16H,3-5,7-10,12,23H2,(H2,24,25,26,27)