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

Systemtic Name: 5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-N,4-dimethyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N,4-dimethyl-tetrahydrofuran-2-carboxamide CAS Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-N,4-dimethyl-2-oxolanecarboxamide IUPAC Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-N,4-dimethyloxolane-2-carboxamide Traditional Name: 3,4-dihydroxy-5-[6-[(3-iodobenzyl)amino]purin-9-yl]-N,4-dimethyl-tetrahydrofuran-2-carboxamide Formula: C19H21IN6O4 MolecularWeight: 524.31231

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(OC1N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)C(=O)NC)O)O

Isomeric SMILES

CC1(C(C(OC1N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)C(=O)NC)O)O

InChI

InChI=1S/C19H21IN6O4/c1-19(29)14(27)13(17(28)21-2)30-18(19)26-9-25-12-15(23-8-24-16(12)26)22-7-10-4-3-5-11(20)6-10/h3-6,8-9,13-14,18,27,29H,7H2,1-2H3,(H,21,28)(H,22,23,24)