3-[5-bromanyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[5-bromanyl-4-(quinolin-6-ylamino)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[5-bromo-4-(6-quinolylamino)pyrimidin-2-yl]benzonitrile CAS Name: 3-[5-bromo-4-(6-quinolinylamino)-2-pyrimidinyl]benzonitrile IUPAC Name: 3-[5-bromo-4-(quinolin-6-ylamino)pyrimidin-2-yl]benzonitrile Traditional Name: 3-[5-bromo-4-(6-quinolylamino)pyrimidin-2-yl]benzonitrile Formula: C20H12BrN5 MolecularWeight: 402.24678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)Br)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N=CC=C4)Br)C#N

InChI

InChI=1S/C20H12BrN5/c21-17-12-24-19(15-4-1-3-13(9-15)11-22)26-20(17)25-16-6-7-18-14(10-16)5-2-8-23-18/h1-10,12H,(H,24,25,26)