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

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-amino-N-[(2S,3S,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-amino-N-[(2S,3S,5R)-5-[6-(dimethylamino)-9-purinyl]-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S,5R)-5-[6-(dimethylamino)purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(2S,3S,5R)-5-[6-(dimethylamino)purin-9-yl]-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide Formula: C22H29N7O4 MolecularWeight: 455.51016

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O4/c1-28(2)20-19-21(25-11-24-20)29(12-26-19)18-9-16(17(10-30)33-18)27-22(31)15(23)8-13-4-6-14(32-3)7-5-13/h4-7,11-12,15-18,30H,8-10,23H2,1-3H3,(H,27,31)/t15-,16-,17+,18+/m0/s1