2-azanyl-9-(4-chloranyl-3-nitro-phenyl)sulfonyl-3H-purin-6-one

Systemtic Name: 2-azanyl-9-(4-chloranyl-3-nitro-phenyl)sulfonyl-3H-purin-6-one Openeye Name: 2-amino-9-(4-chloro-3-nitro-phenyl)sulfonyl-3H-purin-6-one CAS Name: 2-amino-9-(4-chloro-3-nitrophenyl)sulfonyl-3H-purin-6-one IUPAC Name: 2-amino-9-(4-chloro-3-nitrophenyl)sulfonyl-3H-purin-6-one Traditional Name: 2-amino-9-(4-chloro-3-nitro-phenyl)sulfonyl-3H-purin-6-one Formula: C11H7ClN6O5S MolecularWeight: 370.72848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H7ClN6O5S/c12-6-2-1-5(3-7(6)18(20)21)24(22,23)17-4-14-8-9(17)15-11(13)16-10(8)19/h1-4H,(H3,13,15,16,19)