N-(4-methylphenyl)-4-(6H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name: N-(4-methylphenyl)-4-(6H-purin-6-ylsulfanylmethyl)benzamide Openeye Name: N-(p-tolyl)-4-(6H-purin-6-ylsulfanylmethyl)benzamide CAS Name: N-(4-methylphenyl)-4-[(6H-purin-6-ylthio)methyl]benzamide IUPAC Name: N-(4-methylphenyl)-4-(6H-purin-6-ylsulfanylmethyl)benzamide Traditional Name: N-(p-tolyl)-4-[(6H-purin-6-ylthio)methyl]benzamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3C4=NC=NC4=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)CSC3C4=NC=NC4=NC=N3

InChI

InChI=1S/C20H17N5OS/c1-13-2-8-16(9-3-13)25-19(26)15-6-4-14(5-7-15)10-27-20-17-18(22-11-21-17)23-12-24-20/h2-9,11-12,20H,10H2,1H3,(H,25,26)