3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-methoxy-benzenesulfonyl chloride

Systemtic Name: 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-methoxy-benzenesulfonyl chloride Openeye Name: 3-(8-amino-6-oxo-purin-2-yl)-4-methoxy-benzenesulfonyl chloride CAS Name: 3-(8-amino-6-oxo-2-purinyl)-4-methoxybenzenesulfonyl chloride IUPAC Name: 3-(8-amino-6-oxopurin-2-yl)-4-methoxybenzenesulfonyl chloride Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-4-methoxy-benzenesulfonyl chloride Formula: C12H8ClN5O4S MolecularWeight: 353.74102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C12H8ClN5O4S/c1-22-7-3-2-5(23(13,20)21)4-6(7)9-16-10-8(11(19)17-9)15-12(14)18-10/h2-4H,1H3,(H2,14,16,17,18,19)