4-propoxy-2-(7H-purin-8-yl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide

Systemtic Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Openeye Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide CAS Name: 4-propoxy-2-(7H-purin-8-yl)-N-[2-(1-pyrrolidinyl)ethyl]benzenesulfonamide IUPAC Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide Traditional Name: 4-propoxy-2-(7H-purin-8-yl)-N-(2-pyrrolidinoethyl)benzenesulfonamide Formula: C20H26N6O3S MolecularWeight: 430.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCCC2)C3=NC4=NC=NC=C4N3

Isomeric SMILES

CCCOC1=CC(=C(C=C1)S(=O)(=O)NCCN2CCCC2)C3=NC4=NC=NC=C4N3

InChI

InChI=1S/C20H26N6O3S/c1-2-11-29-15-5-6-18(30(27,28)23-7-10-26-8-3-4-9-26)16(12-15)19-24-17-13-21-14-22-20(17)25-19/h5-6,12-14,23H,2-4,7-11H2,1H3,(H,21,22,24,25)