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

Systemtic Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine CAS Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine Traditional Name: 1-adamantyl-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]amine Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4N)NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4N)NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H25N5O2/c22-18-19(25-15-1-2-16-17(6-15)28-11-27-16)23-10-24-20(18)26-21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14H,3-5,7-9,11,22H2,(H2,23,24,25,26)