5-[2-chloranyl-6-[(3-iodanylphenyl)methyl-methyl-amino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)thiolane-2-carboxamide

Systemtic Name: 5-[2-chloranyl-6-[(3-iodanylphenyl)methyl-methyl-amino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)thiolane-2-carboxamide Openeye Name: 5-[2-chloro-6-[(3-iodophenyl)methyl-methyl-amino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide CAS Name: 5-[2-chloro-6-[(3-iodophenyl)methyl-methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-thiolanecarboxamide IUPAC Name: 5-[2-chloro-6-[(3-iodophenyl)methyl-methylamino]purin-9-yl]-3,4-dihydroxy-N-methylthiolane-2-carboxamide Traditional Name: 5-[2-chloro-6-[(3-iodobenzyl)-methyl-amino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide Formula: C19H20ClIN6O3S MolecularWeight: 574.82297

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(S1)N2C=NC3=C2N=C(N=C3N(C)CC4=CC(=CC=C4)I)Cl)O)O

Isomeric SMILES

CNC(=O)C1C(C(C(S1)N2C=NC3=C2N=C(N=C3N(C)CC4=CC(=CC=C4)I)Cl)O)O

InChI

InChI=1S/C19H20ClIN6O3S/c1-22-17(30)14-12(28)13(29)18(31-14)27-8-23-11-15(24-19(20)25-16(11)27)26(2)7-9-4-3-5-10(21)6-9/h3-6,8,12-14,18,28-29H,7H2,1-2H3,(H,22,30)