N-(3-chloranyl-4-methyl-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide CAS Name: N-(3-chloro-4-methylphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide IUPAC Name: N-(3-chloro-4-methylphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide Formula: C20H16ClN5OS MolecularWeight: 409.89194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN5OS/c1-12-2-7-15(8-16(12)21)26-19(27)14-5-3-13(4-6-14)9-28-20-17-18(23-10-22-17)24-11-25-20/h2-8,10-11H,9H2,1H3,(H,26,27)(H,22,23,24,25)