4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide

Systemtic Name: 4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide Openeye Name: 4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide CAS Name: 4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide IUPAC Name: 4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide Traditional Name: 4-propoxy-2-(7H-purin-6-yl)benzenesulfonamide Formula: C14H15N5O3S MolecularWeight: 333.3656

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)N)C2=C3C(=NC=N2)N=CN3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)N)C2=C3C(=NC=N2)N=CN3

InChI

InChI=1S/C14H15N5O3S/c1-2-5-22-9-3-4-11(23(15,20)21)10(6-9)12-13-14(18-7-16-12)19-8-17-13/h3-4,6-8H,2,5H2,1H3,(H2,15,20,21)(H,16,17,18,19)