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

Systemtic Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(1,3-benzodioxol-5-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(1,3-benzodioxol-5-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC4=NC=NC(=C4[N+](=O)[O-])NC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C21H23N5O4/c27-26(28)18-19(24-15-1-2-16-17(6-15)30-11-29-16)22-10-23-20(18)25-21-7-12-3-13(8-21)5-14(4-12)9-21/h1-2,6,10,12-14H,3-5,7-9,11H2,(H2,22,23,24,25)