3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile

Systemtic Name: 3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]benzenecarbonitrile Openeye Name: 3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]benzonitrile CAS Name: 3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-4-pyrimidinyl]benzonitrile IUPAC Name: 3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-yl]benzonitrile Traditional Name: 3-[6-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-4-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(10-18)17(13-25-20)7-8-24-22-11-21(26-14-27-22)16-4-2-3-15(9-16)12-23/h2-6,9-11,13-14,25H,7-8H2,1H3,(H,24,26,27)