4-[[4-[cyano-(4-methoxyphenyl)methyl]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[cyano-(4-methoxyphenyl)methyl]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[cyano-(4-methoxyphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[cyano-(4-methoxyphenyl)methyl]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[cyano-(4-methoxyphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[cyano-(4-methoxyphenyl)methyl]pyrimidin-2-yl]amino]benzonitrile Formula: C20H15N5O MolecularWeight: 341.366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C#N)C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(C#N)C2=NC(=NC=C2)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H15N5O/c1-26-17-8-4-15(5-9-17)18(13-22)19-10-11-23-20(25-19)24-16-6-2-14(12-21)3-7-16/h2-11,18H,1H3,(H,23,24,25)