4-[[4-[[3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[3-(cyanomethyl)-7-methyl-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[3-(cyanomethyl)-7-methyl-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[3-(cyanomethyl)-7-methyl-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H16N6O MolecularWeight: 380.40204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C2CC#N)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=CC2=C1OC=C2CC#N)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N6O/c1-14-19(7-6-18-16(8-10-23)13-29-21(14)18)27-20-9-11-25-22(28-20)26-17-4-2-15(12-24)3-5-17/h2-7,9,11,13H,8H2,1H3,(H2,25,26,27,28)