(4aS,7aR)-3-(3-Fluorophenyl)-2,4-dioxo-N-propyl-1-(2-thienylmethyl)octahydro-5H-pyrrolo[3,2-d]pyrimidine-5-carboxamide

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Systematic / IUPAC Name: (4aS,7aR)-3-(3-Fluorophenyl)-2,4-dioxo-N-propyl-1-(thiophen-2-ylmethyl)-4a,6,7,7a-tetrahydropyrrolo[3,2-d]pyrimidine-5-carboxamide

ID: Reference10209

Other Names: 5H-Pyrrolo[3,2-d]pyrimidine-5-carboxamide, 3-(3-fluorophenyl)octahydro-2,4-dioxo-N-propyl-1-(2-thienylmethyl)-, (4aS,7aR)-;
NAT3-281270

Formula: C21H23FN4O3S

Spectral Data

(4aS,7aR)-3-(3-Fluorophenyl)-2,4-dioxo-N-propyl-1-(2-thienylmethyl)octahydro-5H-pyrrolo[3,2-d]pyrimidine-5-carboxamide 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 940
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 3:00:00 PM
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Identificators

InChI InChI=1S/C21H23FN4O3S/c1-2-9-23-20(28)24-10-8-17-18(24)19(27)26(15-6-3-5-14(22)12-15)21(29)25(17)13-16-7-4-11-30-16/h3-7,11-12,17-18H,2,8-10,13H2,1H3,(H,23,28)/t17-,18+/m1/s1
InChI Key ZWATUTXZTUTUAC-MSOLQXFVSA-N
Canonical SMILES CCCNC(=O)N1CCC2C1C(=O)N(C(=O)N2CC3=CC=CS3)C4=CC(=CC=C4)F
CAS
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Other Names 5H-Pyrrolo[3,2-d]pyrimidine-5-carboxamide, 3-(3-fluorophenyl)octahydro-2,4-dioxo-N-propyl-1-(2-thienylmethyl)-, (4aS,7aR)-;
NAT3-281270

In Other Databases

PubChem 11884504
ChemSpider 10058832