6-methoxy-8-(4-nitrophenyl)sulfonyl-7H-purin-2-amine

Systemtic Name: 6-methoxy-8-(4-nitrophenyl)sulfonyl-7H-purin-2-amine Openeye Name: 6-methoxy-8-(4-nitrophenyl)sulfonyl-7H-purin-2-amine CAS Name: 6-methoxy-8-(4-nitrophenyl)sulfonyl-7H-purin-2-amine IUPAC Name: 6-methoxy-8-(4-nitrophenyl)sulfonyl-7H-purin-2-amine Traditional Name: (6-methoxy-8-nosyl-7H-purin-2-yl)amine Formula: C12H10N6O5S MolecularWeight: 350.31

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC2=C1NC(=N2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

COC1=NC(=NC2=C1NC(=N2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C12H10N6O5S/c1-23-10-8-9(15-11(13)17-10)16-12(14-8)24(21,22)7-4-2-6(3-5-7)18(19)20/h2-5H,1H3,(H3,13,14,15,16,17)