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

Systemtic Name: 4-[[4-[(5-chloranyl-7-methyl-3-oxidanylidene-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzenecarbonitrile Openeye Name: 4-[[4-(5-chloro-7-methyl-3-oxo-benzofuran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile CAS Name: 4-[[4-[(5-chloro-7-methyl-3-oxo-6-benzofuranyl)oxy]-2-pyrimidinyl]amino]benzonitrile IUPAC Name: 4-[[4-[(5-chloro-7-methyl-3-oxo-1-benzofuran-6-yl)oxy]pyrimidin-2-yl]amino]benzonitrile Traditional Name: 4-[[4-(5-chloro-3-keto-7-methyl-coumaran-6-yl)oxypyrimidin-2-yl]amino]benzonitrile Formula: C20H13ClN4O3 MolecularWeight: 392.79522

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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(=O)CO2

Isomeric SMILES

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

InChI

InChI=1S/C20H13ClN4O3/c1-11-18-14(16(26)10-27-18)8-15(21)19(11)28-17-6-7-23-20(25-17)24-13-4-2-12(9-22)3-5-13/h2-8H,10H2,1H3,(H,23,24,25)