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

Systemtic Name: 3-[3-(2-phenylazanylpyrimidin-4-yl)indol-1-yl]propanenitrile Openeye Name: 3-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]propanenitrile CAS Name: 3-[3-(2-anilino-4-pyrimidinyl)-1-indolyl]propanenitrile IUPAC Name: 3-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]propanenitrile Traditional Name: 3-[3-(2-anilinopyrimidin-4-yl)indol-1-yl]propionitrile Formula: C21H17N5 MolecularWeight: 339.39318

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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)CCC#N

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5/c22-12-6-14-26-15-18(17-9-4-5-10-20(17)26)19-11-13-23-21(25-19)24-16-7-2-1-3-8-16/h1-5,7-11,13,15H,6,14H2,(H,23,24,25)