N-(5-chloranyl-2-methoxy-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-(7H-purin-6-ylsulfanylmethyl)benzamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-[(7H-purin-6-ylthio)methyl]benzamide Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)CSC3=NC=NC4=C3NC=N4

InChI

InChI=1S/C20H16ClN5O2S/c1-28-16-7-6-14(21)8-15(16)26-19(27)13-4-2-12(3-5-13)9-29-20-17-18(23-10-22-17)24-11-25-20/h2-8,10-11H,9H2,1H3,(H,26,27)(H,22,23,24,25)