CHEBI:95357 - 2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide
ChEBI ID CHEBI:95357
Stars This entity has been manually annotated by a third party.
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Formula C22H29N7O5
Net Charge 0
Average Mass 471.510
Monoisotopic Mass 471.22302
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)
InChIKey RXWNCPJZOCPEPQ-UHFFFAOYSA-N
SMILES CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O
ChEBI Ontology
Outgoing 2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide (CHEBI:95357) is a 3'-deoxyribonucleoside (CHEBI:36987)
2-amino-N-[5-[6-(dimethylamino)-9-purinyl]-4-hydroxy-2-(hydroxymethyl)-3-oxolanyl]-3-(4-methoxyphenyl)propanamide (CHEBI:95357) is a purines (CHEBI:26401)
Manual Xref Database
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