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

Systemtic Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1,3-benzodioxol-5-ylmethyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C22H25N5O4 MolecularWeight: 423.465

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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+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC=N4)NCC5=CC6=C(C=C5)OCO6)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4/c28-27(29)19-20(23-10-13-1-2-17-18(6-13)31-12-30-17)24-11-25-21(19)26-22-7-14-3-15(8-22)5-16(4-14)9-22/h1-2,6,11,14-16H,3-5,7-10,12H2,(H2,23,24,25,26)