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

Systemtic Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]benzonitrile CAS Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-pyrimidinyl]benzonitrile IUPAC Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]benzonitrile Traditional Name: 3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-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=C3C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=NC=NC=C3C4=CC=CC(=C4)C#N

InChI

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