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

Systemtic Name: N4-(4-ethylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine Openeye Name: N4-(4-ethylphenyl)-5-nitro-N6-phenethyl-pyrimidine-4,6-diamine CAS Name: N4-(4-ethylphenyl)-5-nitro-N6-phenethylpyrimidine-4,6-diamine IUPAC Name: 4-N-(4-ethylphenyl)-5-nitro-6-N-phenethylpyrimidine-4,6-diamine Traditional Name: [6-(4-ethylanilino)-5-nitro-pyrimidin-4-yl]-phenethyl-amine Formula: C20H21N5O2 MolecularWeight: 363.41304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O2/c1-2-15-8-10-17(11-9-15)24-20-18(25(26)27)19(22-14-23-20)21-13-12-16-6-4-3-5-7-16/h3-11,14H,2,12-13H2,1H3,(H2,21,22,23,24)