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

Systemtic Name: 6-[[2-[(4-cyanophenyl)amino]pyrimidin-4-yl]amino]-7-methyl-1-benzofuran-3-carbonitrile Openeye Name: 6-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-7-methyl-benzofuran-3-carbonitrile CAS Name: 6-[[2-(4-cyanoanilino)-4-pyrimidinyl]amino]-7-methyl-3-benzofurancarbonitrile IUPAC Name: 6-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-7-methyl-1-benzofuran-3-carbonitrile Traditional Name: 6-[[2-(4-cyanoanilino)pyrimidin-4-yl]amino]-7-methyl-benzofuran-3-carbonitrile Formula: C21H14N6O MolecularWeight: 366.37546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC=C2C#N)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=C(C=CC2=C1OC=C2C#N)NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H14N6O/c1-13-18(7-6-17-15(11-23)12-28-20(13)17)26-19-8-9-24-21(27-19)25-16-4-2-14(10-22)3-5-16/h2-9,12H,1H3,(H2,24,25,26,27)