2-[3-(2-phenylazanylpyrimidin-4-yl)indol-1-yl]ethanenitrile

Systemtic Name: 2-[3-(2-phenylazanylpyrimidin-4-yl)indol-1-yl]ethanenitrile Openeye Name: 2-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]acetonitrile CAS Name: 2-[3-(2-anilino-4-pyrimidinyl)-1-indolyl]acetonitrile IUPAC Name: 2-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]acetonitrile Traditional Name: 2-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]acetonitrile Formula: C20H15N5 MolecularWeight: 325.3666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC#N

InChI

InChI=1S/C20H15N5/c21-11-13-25-14-17(16-8-4-5-9-19(16)25)18-10-12-22-20(24-18)23-15-6-2-1-3-7-15/h1-10,12,14H,13H2,(H,22,23,24)