N4-(1-adamantyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(4-iodophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(4-iodoanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H22IN5O2 MolecularWeight: 491.32545

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22IN5O2/c21-15-1-3-16(4-2-15)24-18-17(26(27)28)19(23-11-22-18)25-20-8-12-5-13(9-20)7-14(6-12)10-20/h1-4,11-14H,5-10H2,(H2,22,23,24,25)