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

Systemtic Name: N-ethyl-5-[6-[(3-iodanylphenyl)carbamoylamino]purin-9-yl]-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: N-ethyl-3,4-dihydroxy-5-[6-[(3-iodophenyl)carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide CAS Name: N-ethyl-3,4-dihydroxy-5-[6-[[(3-iodoanilino)-oxomethyl]amino]-9-purinyl]-2-oxolanecarboxamide IUPAC Name: N-ethyl-3,4-dihydroxy-5-[6-[(3-iodophenyl)carbamoylamino]purin-9-yl]oxolane-2-carboxamide Traditional Name: N-ethyl-3,4-dihydroxy-5-[6-[(3-iodophenyl)carbamoylamino]purin-9-yl]tetrahydrofuran-2-carboxamide Formula: C19H20IN7O5 MolecularWeight: 553.31047

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)NC4=CC(=CC=C4)I)O)O

Isomeric SMILES

CCNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NC(=O)NC4=CC(=CC=C4)I)O)O

InChI

InChI=1S/C19H20IN7O5/c1-2-21-17(30)14-12(28)13(29)18(32-14)27-8-24-11-15(22-7-23-16(11)27)26-19(31)25-10-5-3-4-9(20)6-10/h3-8,12-14,18,28-29H,2H2,1H3,(H,21,30)(H2,22,23,25,26,31)