6-[[5-chloranyl-3-(cyanomethyl)-1-benzofuran-6-yl]amino]-2-[(4-cyanophenyl)amino]pyrimidine-4-carbonitrile

Systemtic Name: 6-[[5-chloranyl-3-(cyanomethyl)-1-benzofuran-6-yl]amino]-2-[(4-cyanophenyl)amino]pyrimidine-4-carbonitrile Openeye Name: 6-[[5-chloro-3-(cyanomethyl)benzofuran-6-yl]amino]-2-(4-cyanoanilino)pyrimidine-4-carbonitrile CAS Name: 6-[[5-chloro-3-(cyanomethyl)-6-benzofuranyl]amino]-2-(4-cyanoanilino)-4-pyrimidinecarbonitrile IUPAC Name: 6-[[5-chloro-3-(cyanomethyl)-1-benzofuran-6-yl]amino]-2-(4-cyanoanilino)pyrimidine-4-carbonitrile Traditional Name: 6-[[5-chloro-3-(cyanomethyl)benzofuran-6-yl]amino]-2-(4-cyanoanilino)pyrimidine-4-carbonitrile Formula: C22H12ClN7O MolecularWeight: 425.82998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC2=NC(=CC(=N2)NC3=C(C=C4C(=C3)OC=C4CC#N)Cl)C#N

Isomeric SMILES

C1=CC(=CC=C1C#N)NC2=NC(=CC(=N2)NC3=C(C=C4C(=C3)OC=C4CC#N)Cl)C#N

InChI

InChI=1S/C22H12ClN7O/c23-18-8-17-14(5-6-24)12-31-20(17)9-19(18)29-21-7-16(11-26)28-22(30-21)27-15-3-1-13(10-25)2-4-15/h1-4,7-9,12H,5H2,(H2,27,28,29,30)