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

Systemtic Name: 4-[[5-bromanyl-2-[(4-cyanophenyl)amino]-6-(hydroxymethyl)pyrimidin-4-yl]amino]-3,5-dimethyl-benzenecarbonitrile Openeye Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile CAS Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)-4-pyrimidinyl]amino]-3,5-dimethylbenzonitrile IUPAC Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-(hydroxymethyl)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile Traditional Name: 4-[[5-bromo-2-(4-cyanoanilino)-6-methylol-pyrimidin-4-yl]amino]-3,5-dimethyl-benzonitrile Formula: C21H17BrN6O MolecularWeight: 449.30328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC2=NC(=NC(=C2Br)CO)NC3=CC=C(C=C3)C#N)C)C#N

Isomeric SMILES

CC1=CC(=CC(=C1NC2=NC(=NC(=C2Br)CO)NC3=CC=C(C=C3)C#N)C)C#N

InChI

InChI=1S/C21H17BrN6O/c1-12-7-15(10-24)8-13(2)19(12)27-20-18(22)17(11-29)26-21(28-20)25-16-5-3-14(9-23)4-6-16/h3-8,29H,11H2,1-2H3,(H2,25,26,27,28)