3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile CAS Name: 3-[[4-(3-quinolinylamino)-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 3-[[4-(quinolin-3-ylamino)pyrimidin-2-yl]amino]benzonitrile Traditional Name: 3-[[4-(3-quinolylamino)pyrimidin-2-yl]amino]benzonitrile Formula: C20H14N6 MolecularWeight: 338.36536

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)NC3=NC(=NC=C3)NC4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H14N6/c21-12-14-4-3-6-16(10-14)25-20-22-9-8-19(26-20)24-17-11-15-5-1-2-7-18(15)23-13-17/h1-11,13H,(H2,22,24,25,26)