2-azanyl-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one Openeye Name: 2-amino-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one CAS Name: 2-amino-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one IUPAC Name: 2-amino-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one Traditional Name: 2-amino-9-(3-nitrophenyl)sulfonyl-3H-purin-6-one Formula: C11H8N6O5S MolecularWeight: 336.28342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)N2C=NC3=C2NC(=NC3=O)N)[N+](=O)[O-]

InChI

InChI=1S/C11H8N6O5S/c12-11-14-9-8(10(18)15-11)13-5-16(9)23(21,22)7-3-1-2-6(4-7)17(19)20/h1-5H,(H3,12,14,15,18)