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

Systemtic Name: N4-(1-adamantyl)-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(4-butylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-butylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(4-butylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C24H31N5O2/c1-2-3-4-16-5-7-20(8-6-16)27-22-21(29(30)31)23(26-15-25-22)28-24-12-17-9-18(13-24)11-19(10-17)14-24/h5-8,15,17-19H,2-4,9-14H2,1H3,(H2,25,26,27,28)