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

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

Systemtic Name:N-(3,4-dichlorophenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Openeye Name:N-(3,4-dichlorophenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
CAS Name:N-(3,4-dichlorophenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
IUPAC Name:N-(3,4-dichlorophenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide
Traditional Name:N-(3,4-dichlorophenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide
Formula: C19H13Cl2N5OS
MolecularWeight: 430.31042
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C(=O)NC4=CC(=C(C=C4)Cl)Cl


Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C(=O)NC4=CC(=C(C=C4)Cl)Cl


InChI

InChI=1S/C19H13Cl2N5OS/c20-14-6-5-13(7-15(14)21)26-18(27)12-3-1-11(2-4-12)8-28-19-16-17(23-9-22-16)24-10-25-19/h1-7,9-10H,8H2,(H,26,27)(H,22,23,24,25)


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