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

Systemtic Name: N4-(1-adamantyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(4-butoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-butoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(4-butoxyanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O3/c1-2-3-8-32-20-6-4-19(5-7-20)27-22-21(29(30)31)23(26-15-25-22)28-24-12-16-9-17(13-24)11-18(10-16)14-24/h4-7,15-18H,2-3,8-14H2,1H3,(H2,25,26,27,28)