N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide

Systemtic Name: N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide Openeye Name: N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide CAS Name: N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide Traditional Name: N-butyl-3-methoxy-4-(7H-purin-8-yl)benzenesulfonamide Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OC

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC(=C(C=C1)C2=NC3=NC=NC=C3N2)OC

InChI

InChI=1S/C16H19N5O3S/c1-3-4-7-19-25(22,23)11-5-6-12(14(8-11)24-2)15-20-13-9-17-10-18-16(13)21-15/h5-6,8-10,19H,3-4,7H2,1-2H3,(H,17,18,20,21)