5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-(2,2-diphenylethylamino)-2-[(isobutylsulfonylamino)methyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-(2,2-diphenylethylamino)-2-[(2-methylpropylsulfonylamino)methyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-(2,2-diphenylethylamino)-2-[(isobutylsulfonylamino)methyl]purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C31H39N7O6S MolecularWeight: 637.74966

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)CNS(=O)(=O)CC(C)C)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC(C4=CC=CC=C4)C5=CC=CC=C5)CNS(=O)(=O)CC(C)C)O)O

InChI

InChI=1S/C31H39N7O6S/c1-4-32-30(41)27-25(39)26(40)31(44-27)38-18-34-24-28(36-23(37-29(24)38)16-35-45(42,43)17-19(2)3)33-15-22(20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-14,18-19,22,25-27,31,35,39-40H,4,15-17H2,1-3H3,(H,32,41)(H,33,36,37)