9-(4-chloranyl-3-nitro-phenyl)sulfonyl-3H-purine-2,6-dione

Systemtic Name: 9-(4-chloranyl-3-nitro-phenyl)sulfonyl-3H-purine-2,6-dione Openeye Name: 9-(4-chloro-3-nitro-phenyl)sulfonyl-3H-purine-2,6-dione CAS Name: 9-(4-chloro-3-nitrophenyl)sulfonyl-3H-purine-2,6-dione IUPAC Name: 9-(4-chloro-3-nitrophenyl)sulfonyl-3H-purine-2,6-dione Traditional Name: 9-(4-chloro-3-nitro-phenyl)sulfonylxanthine Formula: C11H6ClN5O6S MolecularWeight: 371.71324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)N2C=NC3=C2NC(=O)NC3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H6ClN5O6S/c12-6-2-1-5(3-7(6)17(20)21)24(22,23)16-4-13-8-9(16)14-11(19)15-10(8)18/h1-4H,(H2,14,15,18,19)