N4-(1-adamantyl)-N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(5-chloranyl-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(5-chloro-2-methyl-phenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(5-chloro-2-methylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amine Formula: C21H24ClN5O2 MolecularWeight: 413.90056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClN5O2/c1-12-2-3-16(22)7-17(12)25-19-18(27(28)29)20(24-11-23-19)26-21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H2,23,24,25,26)