4-[[4-[[5-chloranyl-3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile

Systemtic Name: 4-[[4-[[5-chloranyl-3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[[5-chloro-3-(cyanomethyl)-7-methyl-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[5-chloro-3-(cyanomethyl)-7-methyl-6-benzofuranyl]amino]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[5-chloro-3-(cyanomethyl)-7-methyl-1-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[[5-chloro-3-(cyanomethyl)-7-methyl-benzofuran-6-yl]amino]pyrimidin-2-yl]amino]benzonitrile Formula: C22H15ClN6O MolecularWeight: 414.8471

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Cl)C(=CO2)CC#N

Isomeric SMILES

CC1=C2C(=CC(=C1NC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Cl)C(=CO2)CC#N

InChI

InChI=1S/C22H15ClN6O/c1-13-20(18(23)10-17-15(6-8-24)12-30-21(13)17)28-19-7-9-26-22(29-19)27-16-4-2-14(11-25)3-5-16/h2-5,7,9-10,12H,6H2,1H3,(H2,26,27,28,29)