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CHEBI:39687 - methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate

ChEBI IDCHEBI:39687
ChEBI Namemethyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate
Stars
ASCII Namemethyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate
Last Modified6 March 2015
DownloadsMolfile
FormulaC23H21N7O5
Net Charge0
Average Mass475.465
Monoisotopic Mass475.16042
SMILES[H]C1=C([H])N(c2nc(-n3c([H])nc([H])c3[H])nc([H])c2[H])C(C([H])([H])C(=O)N([H])C([H])([H])c2c([H])c([H])c3c(c2[H])OC([H])([H])O3)=C([H])N1C(=O)OC([H])([H])[H]
InChIInChI=1S/C23H21N7O5/c1-33-23(32)28-8-9-30(20-4-5-25-22(27-20)29-7-6-24-14-29)17(13-28)11-21(31)26-12-16-2-3-18-19(10-16)35-15-34-18/h2-10,13-14H,11-12,15H2,1H3,(H,26,31)
InChIKeyJBZQISRUGZHGRE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate (CHEBI:39687) is a N-arylimidazole (CHEBI:46901)
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate (CHEBI:39687) is a aminopyrimidine (CHEBI:38338)
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate (CHEBI:39687) is a benzodioxoles (CHEBI:38298)
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate (CHEBI:39687) is a methyl ester (CHEBI:25248)
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylate (CHEBI:39687) is a pyrazines (CHEBI:38314)
Synonym  Source
methyl 3-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-oxoethyl}-4-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]pyrazine-1(4H)-carboxylatePDBeChem
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