N4-(1-adamantyl)-N6-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(2-chloranylpyridin-3-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(2-chloro-3-pyridyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(2-chloro-3-pyridinyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(2-chloropyridin-3-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]amine Formula: C19H21ClN6O2 MolecularWeight: 400.86204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN6O2/c20-16-14(2-1-3-21-16)24-17-15(26(27)28)18(23-10-22-17)25-19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,10-13H,4-9H2,(H2,22,23,24,25)