3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzonitrile CAS Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-2-pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzonitrile Traditional Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]benzonitrile Formula: C22H19N5O MolecularWeight: 369.41916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=NC(=NC=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C22H19N5O/c1-28-18-5-6-20-19(12-18)17(14-26-20)7-9-24-21-8-10-25-22(27-21)16-4-2-3-15(11-16)13-23/h2-6,8,10-12,14,26H,7,9H2,1H3,(H,24,25,27)