N-(3-chloranyl-2-methyl-phenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-(3-chloro-2-methylphenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-(3-chloro-2-methylphenyl)-2-phenyl-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-2-phenyl-2-(7H-purin-6-ylthio)acetamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H16ClN5OS/c1-12-14(21)8-5-9-15(12)26-19(27)17(13-6-3-2-4-7-13)28-20-16-18(23-10-22-16)24-11-25-20/h2-11,17H,1H3,(H,26,27)(H,22,23,24,25)