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

Systemtic Name: 5-[6-(2,2-diphenylethylamino)-2-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]purin-9-yl]-N-ethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[2-[[2-(diisopropylamino)ethylcarbamoylamino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-(2,2-diphenylethylamino)-2-[[[[2-[di(propan-2-yl)amino]ethylamino]-oxomethyl]amino]methyl]-9-purinyl]-N-ethyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-(2,2-diphenylethylamino)-2-[[2-[di(propan-2-yl)amino]ethylcarbamoylamino]methyl]purin-9-yl]-N-ethyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[2-[[2-(diisopropylamino)ethylcarbamoylamino]methyl]-6-(2,2-diphenylethylamino)purin-9-yl]-N-ethyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C36H49N9O5 MolecularWeight: 687.83156

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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)CNC(=O)NCCN(C(C)C)C(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)CNC(=O)NCCN(C(C)C)C(C)C)O)O

InChI

InChI=1S/C36H49N9O5/c1-6-37-34(48)31-29(46)30(47)35(50-31)45-21-41-28-32(39-19-26(24-13-9-7-10-14-24)25-15-11-8-12-16-25)42-27(43-33(28)45)20-40-36(49)38-17-18-44(22(2)3)23(4)5/h7-16,21-23,26,29-31,35,46-47H,6,17-20H2,1-5H3,(H,37,48)(H2,38,40,49)(H,39,42,43)