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

Systemtic Name: 2-azanyl-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide Openeye Name: 2-amino-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propanamide CAS Name: 2-amino-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-hydroxyphenyl)propanamide IUPAC Name: 2-amino-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-hydroxyphenyl)propanamide Traditional Name: 2-amino-N-[(2R,3R,4S,5S)-5-[6-(dimethylamino)purin-9-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-hydroxyphenyl)propionamide Formula: C21H27N7O5 MolecularWeight: 457.48298

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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)O)N)O

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)/t13?,14-,15-,17-,21-/m0/s1