2-chloranyl-6-methoxy-3-(methylamino)-5-(6-oxidanylidenepurin-8-yl)benzenesulfinic acid

Systemtic Name: 2-chloranyl-6-methoxy-3-(methylamino)-5-(6-oxidanylidenepurin-8-yl)benzenesulfinic acid Openeye Name: 2-chloro-6-methoxy-3-(methylamino)-5-(6-oxopurin-8-yl)benzenesulfinic acid CAS Name: 2-chloro-6-methoxy-3-(methylamino)-5-(6-oxo-8-purinyl)benzenesulfinic acid IUPAC Name: 2-chloro-6-methoxy-3-(methylamino)-5-(6-oxopurin-8-yl)benzenesulfinic acid Traditional Name: 2-chloro-5-(6-ketopurin-8-yl)-6-methoxy-3-(methylamino)benzenesulfinic acid Formula: C13H10ClN5O4S MolecularWeight: 367.7676

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)OC)S(=O)O)Cl

Isomeric SMILES

CNC1=C(C(=C(C(=C1)C2=NC3=NC=NC(=O)C3=N2)OC)S(=O)O)Cl

InChI

InChI=1S/C13H10ClN5O4S/c1-15-6-3-5(9(23-2)10(7(6)14)24(21)22)11-18-8-12(19-11)16-4-17-13(8)20/h3-4,15H,1-2H3,(H,21,22)