N6-[2-[[4-(4-ethylphenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine

Systemtic Name: N6-[2-[[4-(4-ethylphenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine Openeye Name: N6-[2-[[4-(4-ethylphenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]-3-nitro-pyridine-2,6-diamine CAS Name: N6-[2-[[4-(4-ethylphenyl)-5-(1-imidazolyl)-2-pyrimidinyl]amino]ethyl]-3-nitropyridine-2,6-diamine IUPAC Name: 6-N-[2-[[4-(4-ethylphenyl)-5-imidazol-1-ylpyrimidin-2-yl]amino]ethyl]-3-nitropyridine-2,6-diamine Traditional Name: (6-amino-5-nitro-2-pyridyl)-[2-[[4-(4-ethylphenyl)-5-imidazol-1-yl-pyrimidin-2-yl]amino]ethyl]amine Formula: C22H23N9O2 MolecularWeight: 445.47712

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N

InChI

InChI=1S/C22H23N9O2/c1-2-15-3-5-16(6-4-15)20-18(30-12-11-24-14-30)13-27-22(29-20)26-10-9-25-19-8-7-17(31(32)33)21(23)28-19/h3-8,11-14H,2,9-10H2,1H3,(H3,23,25,28)(H,26,27,29)