8-(4-nitrophenyl)-6-(phenylmethylsulfanyl)-7H-purine

Systemtic Name: 8-(4-nitrophenyl)-6-(phenylmethylsulfanyl)-7H-purine Openeye Name: 6-benzylsulfanyl-8-(4-nitrophenyl)-7H-purine CAS Name: 8-(4-nitrophenyl)-6-(phenylmethylthio)-7H-purine IUPAC Name: 6-benzylsulfanyl-8-(4-nitrophenyl)-7H-purine Traditional Name: 6-(benzylthio)-8-(4-nitrophenyl)-7H-purine Formula: C18H13N5O2S MolecularWeight: 363.39312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=NC3=C2NC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O2S/c24-23(25)14-8-6-13(7-9-14)16-21-15-17(22-16)19-11-20-18(15)26-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,19,20,21,22)