4-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-4-oxobutanoic acid

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Systematic / IUPAC Name: 4-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxo-4a,6,7,7a-tetrahydropyrrolo[3,2-d]pyrimidin-5-yl]-4-oxobutanoic acid

ID: Reference10210

Other Names: 5H-Pyrrolo[3,2-d]pyrimidine-5-butanoic acid, 3-(3-chloro-4-fluorophenyl)octahydro-γ,2,4-trioxo-1-(phenylmethyl)-, (4aS,7aR)-;
NAT3-281303

Formula: C23H21ClFN3O5

Spectral Data

4-[(4aS,7aR)-1-Benzyl-3-(3-chloro-4-fluorophenyl)-2,4-dioxooctahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl]-4-oxobutanoic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 2385
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 3:01:38 PM
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Identificators

InChI InChI=1S/C23H21ClFN3O5/c24-16-12-15(6-7-17(16)25)28-22(32)21-18(10-11-26(21)19(29)8-9-20(30)31)27(23(28)33)13-14-4-2-1-3-5-14/h1-7,12,18,21H,8-11,13H2,(H,30,31)/t18-,21+/m1/s1
InChI Key MDQLHFZCPWWILP-NQIIRXRSSA-N
Canonical SMILES C1CN(C2C1N(C(=O)N(C2=O)C3=CC(=C(C=C3)F)Cl)CC4=CC=CC=C4)C(=O)CCC(=O)O
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Other Names 5H-Pyrrolo[3,2-d]pyrimidine-5-butanoic acid, 3-(3-chloro-4-fluorophenyl)octahydro-γ,2,4-trioxo-1-(phenylmethyl)-, (4aS,7aR)-;
NAT3-281303

In Other Databases

ChemSpider 10058839
PubChem 11884511