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

Systemtic Name: 4-[[4-[[7-methyl-3-(1H-pyrrol-3-ylmethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[7-methyl-3-(1H-pyrrol-3-ylmethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[7-methyl-3-(1H-pyrrol-3-ylmethyl)-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[7-methyl-3-(1H-pyrrol-3-ylmethyl)-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[7-methyl-3-(1H-pyrrol-3-ylmethyl)benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C25H20N6O MolecularWeight: 420.4659

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C2CC3=CNC=C3)NC4=NC(=NC=C4)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C=CC2=C1OC=C2CC3=CNC=C3)NC4=NC(=NC=C4)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C25H20N6O/c1-16-22(7-6-21-19(15-32-24(16)21)12-18-8-10-27-14-18)30-23-9-11-28-25(31-23)29-20-4-2-17(13-26)3-5-20/h2-11,14-15,27H,12H2,1H3,(H2,28,29,30,31)