2-azanyl-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]propanamide

Systemtic Name: 2-azanyl-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]propanamide Openeye Name: 2-amino-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]propanamide CAS Name: 2-amino-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]propanamide IUPAC Name: 2-amino-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]propanamide Traditional Name: 2-amino-3-(4-azidophenyl)-N-[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]propionamide Formula: C21H26N10O4 MolecularWeight: 482.49574

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)N=[N+]=[N-])N)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=CN2[C@H]3[C@@H](C([C@H](O3)CO)NC(=O)C(CC4=CC=C(C=C4)N=[N+]=[N-])N)O

InChI

InChI=1S/C21H26N10O4/c1-30(2)18-16-19(25-9-24-18)31(10-26-16)21-17(33)15(14(8-32)35-21)27-20(34)13(22)7-11-3-5-12(6-4-11)28-29-23/h3-6,9-10,13-15,17,21,32-33H,7-8,22H2,1-2H3,(H,27,34)/t13?,14-,15?,17-,21-/m1/s1