4-[3-chloranyl-4-[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzamide

Systemtic Name: 4-[3-chloranyl-4-[2-[(4-cyanophenyl)amino]-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzamide Openeye Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzamide CAS Name: 4-[3-chloro-4-[[2-(4-cyanoanilino)-9-methyl-6-purinyl]oxy]-5-methylphenyl]benzamide IUPAC Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methylpurin-6-yl]oxy-5-methylphenyl]benzamide Traditional Name: 4-[3-chloro-4-[2-(4-cyanoanilino)-9-methyl-purin-6-yl]oxy-5-methyl-phenyl]benzamide Formula: C27H20ClN7O2 MolecularWeight: 509.9464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)C(=O)N)Cl)OC3=NC(=NC4=C3N=CN4C)NC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=CC=C(C=C2)C(=O)N)Cl)OC3=NC(=NC4=C3N=CN4C)NC5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H20ClN7O2/c1-15-11-19(17-5-7-18(8-6-17)24(30)36)12-21(28)23(15)37-26-22-25(35(2)14-31-22)33-27(34-26)32-20-9-3-16(13-29)4-10-20/h3-12,14H,1-2H3,(H2,30,36)(H,32,33,34)