CHEBI:107312 - 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester
ChEBI ID CHEBI:107312
Stars This entity has been manually annotated by a third party.
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Formula C20H23N5O4
Net Charge 0
Average Mass 397.428
Monoisotopic Mass 397.17500
InChI InChI=1S/C20H23N5O4/c1-22-18-17(19(27)23(2)20(22)28)25(12-16(26)29-3)15(21-18)11-24-9-8-13-6-4-5-7-14(13)10-24/h4-7H,8-12H2,1-3H3
InChIKey POERGFONJBBQSG-UHFFFAOYSA-N
SMILES CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCC4=CC=CC=C4C3)CC(=O)OC
ChEBI Ontology
Outgoing 2-[8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3-dimethyl-2,6-dioxo-7-purinyl]acetic acid methyl ester (CHEBI:107312) is a α-amino acid ester (CHEBI:46874)
Manual Xref Database
LSM-18666 LINCS
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