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

Systemtic Name: (2S,3S,4R,5R)-5-[6-[(4-bromophenyl)methylamino]purin-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[6-[(4-bromophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[6-[(4-bromophenyl)methylamino]-9-purinyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[6-[(4-bromophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[6-[(4-bromobenzyl)amino]purin-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H19BrN6O4 MolecularWeight: 463.28526

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)Br)O)O

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3NCC4=CC=C(C=C4)Br)O)O

InChI

InChI=1S/C18H19BrN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1