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

Systemtic Name: 5-[6-[(3-iodanylphenyl)methylamino]-2-methylsulfanyl-purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-methylsulfanyl-purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-(methylthio)-9-purinyl]-N-methyl-2-oxolanecarboxamide IUPAC Name: 3,4-dihydroxy-5-[6-[(3-iodophenyl)methylamino]-2-methylsulfanylpurin-9-yl]-N-methyloxolane-2-carboxamide Traditional Name: 3,4-dihydroxy-5-[6-[(3-iodobenzyl)amino]-2-(methylthio)purin-9-yl]-N-methyl-tetrahydrofuran-2-carboxamide Formula: C19H21IN6O4S MolecularWeight: 556.37731

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)SC)O)O

Isomeric SMILES

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)SC)O)O

InChI

InChI=1S/C19H21IN6O4S/c1-21-17(29)14-12(27)13(28)18(30-14)26-8-23-11-15(24-19(31-2)25-16(11)26)22-7-9-4-3-5-10(20)6-9/h3-6,8,12-14,18,27-28H,7H2,1-2H3,(H,21,29)(H,22,24,25)