N-cyclopropyl-3,4-bis(oxidanyl)-5-[6-[2-(1-prop-2-ynylindol-3-yl)ethylamino]purin-9-yl]oxolane-2-carboxamide

Systemtic Name: N-cyclopropyl-3,4-bis(oxidanyl)-5-[6-[2-(1-prop-2-ynylindol-3-yl)ethylamino]purin-9-yl]oxolane-2-carboxamide Openeye Name: N-cyclopropyl-3,4-dihydroxy-5-[6-[2-(1-prop-2-ynylindol-3-yl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: N-cyclopropyl-3,4-dihydroxy-5-[6-[2-(1-prop-2-ynyl-3-indolyl)ethylamino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-cyclopropyl-3,4-dihydroxy-5-[6-[2-(1-prop-2-ynylindol-3-yl)ethylamino]purin-9-yl]oxolane-2-carboxamide Traditional Name: N-cyclopropyl-3,4-dihydroxy-5-[6-[2-(1-propargylindol-3-yl)ethylamino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C26H27N7O4 MolecularWeight: 501.53708

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C=C(C2=CC=CC=C21)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)NC6CC6)O)O

Isomeric SMILES

C#CCN1C=C(C2=CC=CC=C21)CCNC3=NC=NC4=C3N=CN4C5C(C(C(O5)C(=O)NC6CC6)O)O

InChI

InChI=1S/C26H27N7O4/c1-2-11-32-12-15(17-5-3-4-6-18(17)32)9-10-27-23-19-24(29-13-28-23)33(14-30-19)26-21(35)20(34)22(37-26)25(36)31-16-7-8-16/h1,3-6,12-14,16,20-22,26,34-35H,7-11H2,(H,31,36)(H,27,28,29)