5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-(2-morpholin-4-ylethyl)-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-(2-morpholin-4-ylethyl)-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxy-N-(2-morpholinoethyl)tetrahydrofuran-2-carboxamide CAS Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]ethylamino]-9-purinyl]-3,4-dihydroxy-N-[2-(4-morpholinyl)ethyl]-2-oxolanecarboxamide IUPAC Name: 5-[6-[2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxy-N-(2-morpholin-4-ylethyl)oxolane-2-carboxamide Traditional Name: 5-[6-[2-[1-(2,5-dimethylbenzyl)indol-3-yl]ethylamino]purin-9-yl]-3,4-dihydroxy-N-(2-morpholinoethyl)tetrahydrofuran-2-carboxamide Formula: C35H42N8O5 MolecularWeight: 654.75858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)C(=O)NCCN7CCOCC7)O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C=C(C3=CC=CC=C32)CCNC4=NC=NC5=C4N=CN5C6C(C(C(O6)C(=O)NCCN7CCOCC7)O)O

InChI

InChI=1S/C35H42N8O5/c1-22-7-8-23(2)25(17-22)19-42-18-24(26-5-3-4-6-27(26)42)9-10-36-32-28-33(39-20-38-32)43(21-40-28)35-30(45)29(44)31(48-35)34(46)37-11-12-41-13-15-47-16-14-41/h3-8,17-18,20-21,29-31,35,44-45H,9-16,19H2,1-2H3,(H,37,46)(H,36,38,39)