[2-chloranyl-4-[(7-methylpurin-6-yl)amino]sulfanyl-phenyl]-(2-methylphenyl)methanone

Systemtic Name: [2-chloranyl-4-[(7-methylpurin-6-yl)amino]sulfanyl-phenyl]-(2-methylphenyl)methanone Openeye Name: [2-chloro-4-[(7-methylpurin-6-yl)amino]sulfanyl-phenyl]-(o-tolyl)methanone CAS Name: 3-chloro-4-[(2-methylphenyl)-oxomethyl]-N-(7-methyl-6-purinyl)benzenesulfenamide IUPAC Name: [2-chloro-4-[(7-methylpurin-6-yl)amino]sulfanylphenyl]-(2-methylphenyl)methanone Traditional Name: [2-chloro-4-[[(7-methylpurin-6-yl)amino]thio]phenyl]-(o-tolyl)methanone Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)SNC3=NC=NC4=C3N(C=N4)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=O)C2=C(C=C(C=C2)SNC3=NC=NC4=C3N(C=N4)C)Cl

InChI

InChI=1S/C20H16ClN5OS/c1-12-5-3-4-6-14(12)18(27)15-8-7-13(9-16(15)21)28-25-20-17-19(22-10-23-20)24-11-26(17)2/h3-11H,1-2H3,(H,22,23,25)