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

Systemtic Name: 4-[[4-[[5-chloranyl-3-(1-cyanoethyl)-7-methyl-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-[5-chloro-3-(1-cyanoethyl)-7-methyl-benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[[5-chloro-3-(1-cyanoethyl)-7-methyl-6-benzofuranyl]oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[[5-chloro-3-(1-cyanoethyl)-7-methyl-1-benzofuran-6-yl]oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-[5-chloro-3-(1-cyanoethyl)-7-methyl-benzofuran-6-yl]oxypyrimidin-2-yl]amino]benzonitrile Formula: C23H16ClN5O2 MolecularWeight: 429.85844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Cl)C(=CO2)C(C)C#N

Isomeric SMILES

CC1=C2C(=CC(=C1OC3=NC(=NC=C3)NC4=CC=C(C=C4)C#N)Cl)C(=CO2)C(C)C#N

InChI

InChI=1S/C23H16ClN5O2/c1-13(10-25)18-12-30-21-14(2)22(19(24)9-17(18)21)31-20-7-8-27-23(29-20)28-16-5-3-15(11-26)4-6-16/h3-9,12-13H,1-2H3,(H,27,28,29)