2-azanyl-1-(4-nitrophenyl)sulfonyl-7H-purin-6-one

Systemtic Name: 2-azanyl-1-(4-nitrophenyl)sulfonyl-7H-purin-6-one Openeye Name: 2-amino-1-(4-nitrophenyl)sulfonyl-7H-purin-6-one CAS Name: 2-amino-1-(4-nitrophenyl)sulfonyl-7H-purin-6-one IUPAC Name: 2-amino-1-(4-nitrophenyl)sulfonyl-7H-purin-6-one Traditional Name: 2-amino-1-nosyl-7H-purin-6-one Formula: C11H8N6O5S MolecularWeight: 336.28342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N2C(=O)C3=C(N=CN3)N=C2N

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N2C(=O)C3=C(N=CN3)N=C2N

InChI

InChI=1S/C11H8N6O5S/c12-11-15-9-8(13-5-14-9)10(18)16(11)23(21,22)7-3-1-6(2-4-7)17(19)20/h1-5H,(H2,12,15)(H,13,14)