3-(6-oxidanylidene-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 3-(6-oxidanylidene-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonyl chloride Openeye Name: 3-(6-oxo-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonyl chloride CAS Name: 3-(6-oxo-3,7-dihydropurin-2-yl)-4-propoxybenzenesulfonyl chloride IUPAC Name: 3-(6-oxo-3,7-dihydropurin-2-yl)-4-propoxybenzenesulfonyl chloride Traditional Name: 3-(6-keto-3,7-dihydropurin-2-yl)-4-propoxy-benzenesulfonyl chloride Formula: C14H13ClN4O4S MolecularWeight: 368.79542

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)Cl)C2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C14H13ClN4O4S/c1-2-5-23-10-4-3-8(24(15,21)22)6-9(10)12-18-13-11(14(20)19-12)16-7-17-13/h3-4,6-7H,2,5H2,1H3,(H2,16,17,18,19,20)