7-methyl-8-(4-nitrophenyl)-6-(phenylmethyl)sulfonyl-purine

Systemtic Name: 7-methyl-8-(4-nitrophenyl)-6-(phenylmethyl)sulfonyl-purine Openeye Name: 6-benzylsulfonyl-7-methyl-8-(4-nitrophenyl)purine CAS Name: 7-methyl-8-(4-nitrophenyl)-6-(phenylmethyl)sulfonylpurine IUPAC Name: 6-benzylsulfonyl-7-methyl-8-(4-nitrophenyl)purine Traditional Name: 6-benzylsulfonyl-7-methyl-8-(4-nitrophenyl)purine Formula: C19H15N5O4S MolecularWeight: 409.4185

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=CN=C2S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(N=CN=C2S(=O)(=O)CC3=CC=CC=C3)N=C1C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O4S/c1-23-16-17(22-18(23)14-7-9-15(10-8-14)24(25)26)20-12-21-19(16)29(27,28)11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3