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

Systemtic Name: N-[3-[cyclopropyl-[2-oxidanyl-4-oxidanylidene-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-7H-purine-6-sulfonamide Openeye Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-oxo-pyran-3-yl]-cyclopropyl-methyl]phenyl]-7H-purine-6-sulfonamide CAS Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)-3-pyranyl]methyl]phenyl]-7H-purine-6-sulfonamide IUPAC Name: N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(1-phenylbutan-2-yl)pyran-3-yl]methyl]phenyl]-7H-purine-6-sulfonamide Traditional Name: N-[3-[[6-(1-benzylpropyl)-2-hydroxy-4-keto-pyran-3-yl]-cyclopropyl-methyl]phenyl]-7H-purine-6-sulfonamide Formula: C30H29N5O5S MolecularWeight: 571.64676

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H29N5O5S/c1-2-19(13-18-7-4-3-5-8-18)24-15-23(36)26(30(37)40-24)25(20-11-12-20)21-9-6-10-22(14-21)35-41(38,39)29-27-28(32-16-31-27)33-17-34-29/h3-10,14-17,19-20,25,35,37H,2,11-13H2,1H3,(H,31,32,33,34)