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

Systemtic Name: N4-(1-adamantyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(4-ethylphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(4-ethylphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]amine Formula: C22H27N5O2 MolecularWeight: 393.48208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O2/c1-2-14-3-5-18(6-4-14)25-20-19(27(28)29)21(24-13-23-20)26-22-10-15-7-16(11-22)9-17(8-15)12-22/h3-6,13,15-17H,2,7-12H2,1H3,(H2,23,24,25,26)