9-(phenylmethyl)-6-(1-phenylsulfanylethenyl)purine

Systemtic Name: 9-(phenylmethyl)-6-(1-phenylsulfanylethenyl)purine Openeye Name: 9-benzyl-6-(1-phenylsulfanylvinyl)purine CAS Name: 9-(phenylmethyl)-6-[1-(phenylthio)ethenyl]purine IUPAC Name: 9-benzyl-6-(1-phenylsulfanylethenyl)purine Traditional Name: 9-benzyl-6-[1-(phenylthio)vinyl]purine Formula: C20H16N4S MolecularWeight: 344.43284

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

C=C(C1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C20H16N4S/c1-15(25-17-10-6-3-7-11-17)18-19-20(22-13-21-18)24(14-23-19)12-16-8-4-2-5-9-16/h2-11,13-14H,1,12H2