8-(8-butylsulfonyl-4-ethoxy-naphthalen-2-yl)-7H-purine

Systemtic Name: 8-(8-butylsulfonyl-4-ethoxy-naphthalen-2-yl)-7H-purine Openeye Name: 8-(8-butylsulfonyl-4-ethoxy-2-naphthyl)-7H-purine CAS Name: 8-(8-butylsulfonyl-4-ethoxy-2-naphthalenyl)-7H-purine IUPAC Name: 8-(8-butylsulfonyl-4-ethoxynaphthalen-2-yl)-7H-purine Traditional Name: 8-(8-butylsulfonyl-4-ethoxy-2-naphthyl)-7H-purine Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC=CC2=C(C=C(C=C21)C3=NC4=NC=NC=C4N3)OCC

Isomeric SMILES

CCCCS(=O)(=O)C1=CC=CC2=C(C=C(C=C21)C3=NC4=NC=NC=C4N3)OCC

InChI

InChI=1S/C21H22N4O3S/c1-3-5-9-29(26,27)19-8-6-7-15-16(19)10-14(11-18(15)28-4-2)20-24-17-12-22-13-23-21(17)25-20/h6-8,10-13H,3-5,9H2,1-2H3,(H,22,23,24,25)