6-(1,1-diphenylethylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide

Systemtic Name: 6-(1,1-diphenylethylamino)-9-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide Openeye Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(1,1-diphenylethylamino)-N-[2-[2-(1-piperidyl)ethylcarbamoylamino]ethyl]purine-2-carboxamide CAS Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-(1,1-diphenylethylamino)-N-[2-[[oxo-[2-(1-piperidinyl)ethylamino]methyl]amino]ethyl]-2-purinecarboxamide IUPAC Name: 9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(1,1-diphenylethylamino)-N-[2-(2-piperidin-1-ylethylcarbamoylamino)ethyl]purine-2-carboxamide Traditional Name: 9-(3,4-dihydroxy-5-methylol-tetrahydrofuran-2-yl)-6-(1,1-diphenylethylamino)-N-[2-(2-piperidinoethylcarbamoylamino)ethyl]purine-2-carboxamide Formula: C35H45N9O6 MolecularWeight: 687.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C(=O)NCCNC(=O)NCCN6CCCCC6

Isomeric SMILES

CC(C1=CC=CC=C1)(C2=CC=CC=C2)NC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)C(=O)NCCNC(=O)NCCN6CCCCC6

InChI

InChI=1S/C35H45N9O6/c1-35(23-11-5-2-6-12-23,24-13-7-3-8-14-24)42-29-26-31(44(22-39-26)33-28(47)27(46)25(21-45)50-33)41-30(40-29)32(48)36-15-16-37-34(49)38-17-20-43-18-9-4-10-19-43/h2-3,5-8,11-14,22,25,27-28,33,45-47H,4,9-10,15-21H2,1H3,(H,36,48)(H2,37,38,49)(H,40,41,42)