5-[6-[2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-cyclopropyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: 5-[6-[2-[1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-cyclopropyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 5-[6-[2-[1-[(4-bromo-2-fluoro-phenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: 5-[6-[2-[1-[(4-bromo-2-fluorophenyl)methyl]-3-indolyl]ethylamino]-9-purinyl]-N-cyclopropyl-3,4-dihydroxy-2-oxolanecarboxamide IUPAC Name: 5-[6-[2-[1-[(4-bromo-2-fluorophenyl)methyl]indol-3-yl]ethylamino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxyoxolane-2-carboxamide Traditional Name: 5-[6-[2-[1-(4-bromo-2-fluoro-benzyl)indol-3-yl]ethylamino]purin-9-yl]-N-cyclopropyl-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C30H29BrFN7O4 MolecularWeight: 650.498163

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NCCC5=CN(C6=CC=CC=C65)CC7=C(C=C(C=C7)Br)F)O)O

Isomeric SMILES

C1CC1NC(=O)C2C(C(C(O2)N3C=NC4=C3N=CN=C4NCCC5=CN(C6=CC=CC=C65)CC7=C(C=C(C=C7)Br)F)O)O

InChI

InChI=1S/C30H29BrFN7O4/c31-18-6-5-17(21(32)11-18)13-38-12-16(20-3-1-2-4-22(20)38)9-10-33-27-23-28(35-14-34-27)39(15-36-23)30-25(41)24(40)26(43-30)29(42)37-19-7-8-19/h1-6,11-12,14-15,19,24-26,30,40-41H,7-10,13H2,(H,37,42)(H,33,34,35)