(2S,3S,4R,5R)-5-[6-azanyl-1-[(3-chlorophenyl)methyl]purin-1-ium-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide

Systemtic Name: (2S,3S,4R,5R)-5-[6-azanyl-1-[(3-chlorophenyl)methyl]purin-1-ium-9-yl]-N-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide Openeye Name: (2S,3S,4R,5R)-5-[6-amino-1-[(3-chlorophenyl)methyl]purin-1-ium-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4R,5R)-5-[6-amino-1-[(3-chlorophenyl)methyl]-9-purin-1-iumyl]-3,4-dihydroxy-N-methyl-2-oxolanecarboxamide IUPAC Name: (2S,3S,4R,5R)-5-[6-amino-1-[(3-chlorophenyl)methyl]purin-1-ium-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide Traditional Name: (2S,3S,4R,5R)-5-[6-amino-1-(3-chlorobenzyl)purin-1-ium-9-yl]-3,4-dihydroxy-N-methyl-tetrahydrofuran-2-carboxamide Formula: C18H20ClN6O4+ MolecularWeight: 419.8422

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1C(C(C(O1)N2C=NC3=C2N=C[N+](=C3N)CC4=CC(=CC=C4)Cl)O)O

Isomeric SMILES

CNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=C[N+](=C3N)CC4=CC(=CC=C4)Cl)O)O

InChI

InChI=1S/C18H19ClN6O4/c1-21-17(28)14-12(26)13(27)18(29-14)25-8-22-11-15(20)24(7-23-16(11)25)6-9-3-2-4-10(19)5-9/h2-5,7-8,12-14,18,20,26-27H,6H2,1H3,(H,21,28)/p+1/t12-,13+,14-,18+/m0/s1