5-(8-azanyl-6-oxidanylidene-purin-2-yl)-2-methyl-4-propoxy-benzenesulfonyl chloride

Systemtic Name: 5-(8-azanyl-6-oxidanylidene-purin-2-yl)-2-methyl-4-propoxy-benzenesulfonyl chloride Openeye Name: 5-(8-amino-6-oxo-purin-2-yl)-2-methyl-4-propoxy-benzenesulfonyl chloride CAS Name: 5-(8-amino-6-oxo-2-purinyl)-2-methyl-4-propoxybenzenesulfonyl chloride IUPAC Name: 5-(8-amino-6-oxopurin-2-yl)-2-methyl-4-propoxybenzenesulfonyl chloride Traditional Name: 5-(8-amino-6-keto-purin-2-yl)-2-methyl-4-propoxy-benzenesulfonyl chloride Formula: C15H14ClN5O4S MolecularWeight: 395.82076

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1C2=NC(=O)C3=NC(=NC3=N2)N)S(=O)(=O)Cl)C

Isomeric SMILES

CCCOC1=CC(=C(C=C1C2=NC(=O)C3=NC(=NC3=N2)N)S(=O)(=O)Cl)C

InChI

InChI=1S/C15H14ClN5O4S/c1-3-4-25-9-5-7(2)10(26(16,23)24)6-8(9)12-19-13-11(14(22)20-12)18-15(17)21-13/h5-6H,3-4H2,1-2H3,(H2,17,19,20,21,22)