4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one

Systemtic Name: 4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-oxidanyl-2,2-dipropyl-furan-3-one Openeye Name: 4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one CAS Name: 4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-3-furanone IUPAC Name: 4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropylfuran-3-one Traditional Name: 4-[cyclopropyl-[3-(7H-purin-6-ylsulfonylmethyl)phenyl]methyl]-5-hydroxy-2,2-dipropyl-furan-3-one Formula: C26H30N4O5S MolecularWeight: 510.6052

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=NC5=C4NC=N5)CCC

Isomeric SMILES

CCCC1(C(=O)C(=C(O1)O)C(C2CC2)C3=CC=CC(=C3)CS(=O)(=O)C4=NC=NC5=C4NC=N5)CCC

InChI

InChI=1S/C26H30N4O5S/c1-3-10-26(11-4-2)22(31)20(25(32)35-26)19(17-8-9-17)18-7-5-6-16(12-18)13-36(33,34)24-21-23(28-14-27-21)29-15-30-24/h5-7,12,14-15,17,19,32H,3-4,8-11,13H2,1-2H3,(H,27,28,29,30)