4-[[5-nitro-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[5-nitro-4-[(2,4,6-trimethylphenyl)amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[5-nitro-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[5-nitro-4-(2,4,6-trimethylanilino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[5-nitro-4-(2,4,6-trimethylanilino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[(4-mesidino-5-nitro-pyrimidin-2-yl)amino]benzonitrile Formula: C20H18N6O2 MolecularWeight: 374.39592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C20H18N6O2/c1-12-8-13(2)18(14(3)9-12)24-19-17(26(27)28)11-22-20(25-19)23-16-6-4-15(10-21)5-7-16/h4-9,11H,1-3H3,(H2,22,23,24,25)