(4aS,7aR)-5-[(4-Chlorophenyl)sulfonyl]-3-(4-phenoxyphenyl)tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione

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Systematic / IUPAC Name: (4aS,7aR)-5-(4-Chlorophenyl)sulfonyl-3-(4-phenoxyphenyl)-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

ID: Reference10224

Other Names: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione, 5-[(4-chlorophenyl)sulfonyl]tetrahydro-3-(4-phenoxyphenyl)-, (4aS,7aR)-;
NAT3-313033

Formula: C24H20ClN3O5S

Spectral Data

(4aS,7aR)-5-[(4-Chlorophenyl)sulfonyl]-3-(4-phenoxyphenyl)tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione 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 2
No. of Spectra 3853
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6, MS7
Ionization Methods NSI
Analyzers FT
Last Modification 2/5/2021 1:31:55 PM
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Identificators

InChI InChI=1S/C24H20ClN3O5S/c25-16-6-12-20(13-7-16)34(31,32)27-15-14-21-22(27)23(29)28(24(30)26-21)17-8-10-19(11-9-17)33-18-4-2-1-3-5-18/h1-13,21-22H,14-15H2,(H,26,30)/t21-,22+/m1/s1
InChI Key SOOGZOPZRBXEDF-YADHBBJMSA-N
Canonical SMILES C1CN(C2C1NC(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)Cl
CAS
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Other Names 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione, 5-[(4-chlorophenyl)sulfonyl]tetrahydro-3-(4-phenoxyphenyl)-, (4aS,7aR)-;
NAT3-313033

In Other Databases

PubChem 7165080
ChemSpider 5503451