N-methyl-3-(6-oxidanylidenepurin-2-yl)-4-propoxy-benzenesulfonamide

Systemtic Name: N-methyl-3-(6-oxidanylidenepurin-2-yl)-4-propoxy-benzenesulfonamide Openeye Name: N-methyl-3-(6-oxopurin-2-yl)-4-propoxy-benzenesulfonamide CAS Name: N-methyl-3-(6-oxo-2-purinyl)-4-propoxybenzenesulfonamide IUPAC Name: N-methyl-3-(6-oxopurin-2-yl)-4-propoxybenzenesulfonamide Traditional Name: 3-(6-ketopurin-2-yl)-N-methyl-4-propoxy-benzenesulfonamide Formula: C15H15N5O4S MolecularWeight: 361.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC)C2=NC(=O)C3=NC=NC3=N2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NC)C2=NC(=O)C3=NC=NC3=N2

InChI

InChI=1S/C15H15N5O4S/c1-3-6-24-11-5-4-9(25(22,23)16-2)7-10(11)13-19-14-12(15(21)20-13)17-8-18-14/h4-5,7-8,16H,3,6H2,1-2H3