6-[[1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-7H-purine

Systemtic Name: 6-[[1-(phenylmethyl)benzimidazol-2-yl]methylsulfanyl]-7H-purine Openeye Name: 6-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-7H-purine CAS Name: 6-[[1-(phenylmethyl)-2-benzimidazolyl]methylthio]-7H-purine IUPAC Name: 6-[(1-benzylbenzimidazol-2-yl)methylsulfanyl]-7H-purine Traditional Name: 6-[(1-benzylbenzimidazol-2-yl)methylthio]-7H-purine Formula: C20H16N6S MolecularWeight: 372.44624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2CSC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C20H16N6S/c1-2-6-14(7-3-1)10-26-16-9-5-4-8-15(16)25-17(26)11-27-20-18-19(22-12-21-18)23-13-24-20/h1-9,12-13H,10-11H2,(H,21,22,23,24)