N4-(1-adamantyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(1-adamantyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1-adamantyl)-N6-(2-ethoxyphenyl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1-adamantyl)-N6-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1-adamantyl)-6-N-(2-ethoxyphenyl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1-adamantyl-[5-nitro-6-(o-phenetidino)pyrimidin-4-yl]amine Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC2=C(C(=NC=N2)NC34CC5CC(C3)CC(C5)C4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c1-2-30-18-6-4-3-5-17(18)25-20-19(27(28)29)21(24-13-23-20)26-22-10-14-7-15(11-22)9-16(8-14)12-22/h3-6,13-16H,2,7-12H2,1H3,(H2,23,24,25,26)