4-[[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(oxidanylamino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile

Systemtic Name: 4-[[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(oxidanylamino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxyamino)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C20H16BrN7O MolecularWeight: 450.29134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)NO)Br)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=C(C(=NC(=N2)NC3=CC=C(C=C3)C#N)NO)Br)C)C#N

InChI

InChI=1S/C20H16BrN7O/c1-11-7-14(10-23)8-12(2)17(11)25-18-16(21)19(28-29)27-20(26-18)24-15-5-3-13(9-22)4-6-15/h3-8,29H,1-2H3,(H3,24,25,26,27,28)