N-[3-[1-cyclopropyl-1-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]ethyl]phenyl]-7H-purine-6-sulfonamide

Systemtic Name: N-[3-[1-cyclopropyl-1-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]ethyl]phenyl]-7H-purine-6-sulfonamide Openeye Name: N-[3-[1-[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-1-cyclopropyl-ethyl]phenyl]-7H-purine-6-sulfonamide CAS Name: N-[3-[1-cyclopropyl-1-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]ethyl]phenyl]-7H-purine-6-sulfonamide IUPAC Name: N-[3-[1-cyclopropyl-1-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]ethyl]phenyl]-7H-purine-6-sulfonamide Traditional Name: N-[3-[1-[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-1-cyclopropyl-ethyl]phenyl]-7H-purine-6-sulfonamide Formula: C31H31N5O5S MolecularWeight: 585.67334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C)(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC=NC6=C5NC=N6

Isomeric SMILES

CCC(CC1=CC=CC=C1)C2=CC(=O)C(=C(O2)O)C(C)(C3CC3)C4=CC(=CC=C4)NS(=O)(=O)C5=NC=NC6=C5NC=N6

InChI

InChI=1S/C31H31N5O5S/c1-3-20(14-19-8-5-4-6-9-19)25-16-24(37)26(30(38)41-25)31(2,21-12-13-21)22-10-7-11-23(15-22)36-42(39,40)29-27-28(33-17-32-27)34-18-35-29/h4-11,15-18,20-21,36,38H,3,12-14H2,1-2H3,(H,32,33,34,35)