3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]benzonitrile CAS Name: 3-[2-(4-morpholinyl)-6-(3-pyridinylamino)-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[2-morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]benzonitrile Traditional Name: 3-[2-morpholino-6-(3-pyridylamino)pyrimidin-4-yl]benzonitrile Formula: C20H18N6O MolecularWeight: 358.39652

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=CC(=N2)NC3=CN=CC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=NC(=CC(=N2)NC3=CN=CC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C20H18N6O/c21-13-15-3-1-4-16(11-15)18-12-19(23-17-5-2-6-22-14-17)25-20(24-18)26-7-9-27-10-8-26/h1-6,11-12,14H,7-10H2,(H,23,24,25)