N-ethyl-5-[2-iodanyl-6-(pentan-3-ylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: N-ethyl-5-[2-iodanyl-6-(pentan-3-ylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: N-ethyl-5-[6-(1-ethylpropylamino)-2-iodo-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[2-iodo-6-(pentan-3-ylamino)-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-ethyl-3,4-dihydroxy-5-[2-iodo-6-(pentan-3-ylamino)purin-9-yl]oxolane-2-carboxamide Traditional Name: N-ethyl-5-[6-(1-ethylpropylamino)-2-iodo-purin-9-yl]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C17H25IN6O4 MolecularWeight: 504.32267

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)NCC)O)O)I

Isomeric SMILES

CCC(CC)NC1=NC(=NC2=C1N=CN2C3C(C(C(O3)C(=O)NCC)O)O)I

InChI

InChI=1S/C17H25IN6O4/c1-4-8(5-2)21-13-9-14(23-17(18)22-13)24(7-20-9)16-11(26)10(25)12(28-16)15(27)19-6-3/h7-8,10-12,16,25-26H,4-6H2,1-3H3,(H,19,27)(H,21,22,23)