1-{(4R,7S,8aS)-1-Oxo-4-[3-oxo-3-(1-piperidinyl)propyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-(3-thienyl)urea

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Systematic / IUPAC Name: 1-[(4R,7S,8aS)-1-Oxo-4-(3-oxo-3-piperidin-1-ylpropyl)-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrazin-7-yl]-3-thiophen-3-ylurea

ID: Reference10841

Other Names: Urea, N-[(4R,7S,8aS)-octahydro-1-oxo-4-[3-oxo-3-(1-piperidinyl)propyl]pyrrolo[1,2-a]pyrazin-7-yl]-N'-3-thienyl-;
NAT23-380277

Formula: C20H29N5O3S

Spectral Data

1-{(4R,7S,8aS)-1-Oxo-4-[3-oxo-3-(1-piperidinyl)propyl]octahydropyrrolo[1,2-a]pyrazin-7-yl}-3-(3-thienyl)urea 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 1270
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/9/2021 8:59:26 AM
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Identificators

InChI InChI=1S/C20H29N5O3S/c26-18(24-7-2-1-3-8-24)5-4-16-11-21-19(27)17-10-15(12-25(16)17)23-20(28)22-14-6-9-29-13-14/h6,9,13,15-17H,1-5,7-8,10-12H2,(H,21,27)(H2,22,23,28)/t15-,16+,17-/m0/s1
InChI Key SCMDEZRUWNUGAH-BBWFWOEESA-N
Canonical SMILES C1CCN(CC1)C(=O)CCC2CNC(=O)C3N2CC(C3)NC(=O)NC4=CSC=C4
CAS
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Other Names Urea, N-[(4R,7S,8aS)-octahydro-1-oxo-4-[3-oxo-3-(1-piperidinyl)propyl]pyrrolo[1,2-a]pyrazin-7-yl]-N'-3-thienyl-;
NAT23-380277

In Other Databases

ChemSpider 21382822
PubChem 26762945