(2S)-2-azanyl-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-methoxyphenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Openeye Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propanamide CAS Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-3-(4-methoxyphenyl)propanamide Traditional Name: (2S)-2-amino-N-[(2S,3S,4R,5R)-5-[6-(dimethylamino)-7H-purin-9-ium-9-yl]-4-hydroxy-2-methylol-tetrahydrofuran-3-yl]-3-(4-methoxyphenyl)propionamide Formula: C22H30N7O5+ MolecularWeight: 472.5175

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1NC=[N+]2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O

Isomeric SMILES

CN(C)C1=NC=NC2=C1NC=[N+]2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)NC(=O)[C@H](CC4=CC=C(C=C4)OC)N)O

InChI

InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/p+1/t14-,15+,16+,18+,22+/m0/s1