N-[3-[[6-(phenylmethylsulfanyl)purin-9-yl]methyl]phenyl]methanamide

Systemtic Name: N-[3-[[6-(phenylmethylsulfanyl)purin-9-yl]methyl]phenyl]methanamide Openeye Name: N-[3-[(6-benzylsulfanylpurin-9-yl)methyl]phenyl]formamide CAS Name: N-[3-[[6-(phenylmethylthio)-9-purinyl]methyl]phenyl]formamide IUPAC Name: N-[3-[(6-benzylsulfanylpurin-9-yl)methyl]phenyl]formamide Traditional Name: N-[3-[[6-(benzylthio)purin-9-yl]methyl]phenyl]formamide Formula: C20H17N5OS MolecularWeight: 375.44688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CC4=CC(=CC=C4)NC=O

InChI

InChI=1S/C20H17N5OS/c26-14-24-17-8-4-7-16(9-17)10-25-13-23-18-19(25)21-12-22-20(18)27-11-15-5-2-1-3-6-15/h1-9,12-14H,10-11H2,(H,24,26)