(4aS,7aR)-5-[(4-Chlorophenyl)sulfonyl]-3-(4-methylphenyl)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-methylphenyl)-4a,6,7,7a-tetrahydro-1H-pyrrolo[3,2-d]pyrimidine-2,4-dione

ID: Reference10212

Other Names: 1H-Pyrrolo[3,2-d]pyrimidine-2,4(3H,4aH)-dione, 5-[(4-chlorophenyl)sulfonyl]tetrahydro-3-(4-methylphenyl)-, (4aS,7aR)-;
NAT3-304775

Formula: C19H18ClN3O4S

Spectral Data

(4aS,7aR)-5-[(4-Chlorophenyl)sulfonyl]-3-(4-methylphenyl)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 2447
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 3:04:14 PM
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Identificators

InChI InChI=1S/C19H18ClN3O4S/c1-12-2-6-14(7-3-12)23-18(24)17-16(21-19(23)25)10-11-22(17)28(26,27)15-8-4-13(20)5-9-15/h2-9,16-17H,10-11H2,1H3,(H,21,25)/t16-,17+/m1/s1
InChI Key MBZHDLIRPSKLQX-SJORKVTESA-N
Canonical SMILES CC1=CC=C(C=C1)N2C(=O)C3C(CCN3S(=O)(=O)C4=CC=C(C=C4)Cl)NC2=O
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-methylphenyl)-, (4aS,7aR)-;
NAT3-304775

In Other Databases

ChemSpider 5496030
PubChem 7156584