N-(3,5-dimethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Openeye Name: N-(3,5-dimethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Traditional Name: N-(3,5-dimethylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4)C

InChI

InChI=1S/C21H19N5OS/c1-13-7-14(2)9-17(8-13)26-20(27)16-5-3-15(4-6-16)10-28-21-18-19(23-11-22-18)24-12-25-21/h3-9,11-12H,10H2,1-2H3,(H,26,27)(H,22,23,24,25)