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

Systemtic Name: 7-methyl-8-(4-nitrophenyl)-6-(phenylmethylsulfanyl)purine Openeye Name: 6-benzylsulfanyl-7-methyl-8-(4-nitrophenyl)purine CAS Name: 7-methyl-8-(4-nitrophenyl)-6-(phenylmethylthio)purine IUPAC Name: 6-benzylsulfanyl-7-methyl-8-(4-nitrophenyl)purine Traditional Name: 6-(benzylthio)-7-methyl-8-(4-nitrophenyl)purine Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=CN=C2SCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(N=CN=C2SCC3=CC=CC=C3)N=C1C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O2S/c1-23-16-17(22-18(23)14-7-9-15(10-8-14)24(25)26)20-12-21-19(16)27-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3