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

Systemtic Name: N4-(1-adamantyl)-N6-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(3-chlorophenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(3-chlorophenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C20H22ClN5O2 MolecularWeight: 399.87398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN5O2/c21-15-2-1-3-16(7-15)24-18-17(26(27)28)19(23-11-22-18)25-20-8-12-4-13(9-20)6-14(5-12)10-20/h1-3,7,11-14H,4-6,8-10H2,(H2,22,23,24,25)