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Methyl 2-{[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)prop-2-enyl][(4-nitrophenylsulfonyl)]amino}pent-4-enoate

View entire compound with spectra: 1 MS (GC)

Methyl 2-{[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)prop-2-enyl][(4-nitrophenylsulfonyl)]amino}pent-4-enoate
SpectraBase Compound ID ECVv9q1tlfu
InChI InChI=1S/C21H24N4O8S/c1-6-7-18(20(27)33-5)24(34(31,32)16-10-8-15(9-11-16)25(29)30)12-14(2)17-13-22(3)21(28)23(4)19(17)26/h6,8-11,13,18H,1-2,7,12H2,3-5H3
InChIKey JDAJLGQZGJSXLW-UHFFFAOYSA-N
Mol Weight 492.5 g/mol
Molecular Formula C21H24N4O8S
Exact Mass 492.131485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JUCc0eNKI4
Name Methyl 2-{[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-yl)prop-2-enyl][(4-nitrophenylsulfonyl)]amino}pent-4-enoate
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Formula C21H24N4O8S
InChI InChI=1S/C21H24N4O8S/c1-6-7-18(20(27)33-5)24(34(31,32)16-10-8-15(9-11-16)25(29)30)12-14(2)17-13-22(3)21(28)23(4)19(17)26/h6,8-11,13,18H,1-2,7,12H2,3-5H3
InChIKey JDAJLGQZGJSXLW-UHFFFAOYSA-N
Molecular Weight 492.503 g/mol
SMILES C(C(CC=C)N(S(=O)(=O)c1ccc(cc1)N(=O)=O)CC(=C)C=1C(N(C(N(C1)C)=O)C)=O)(=O)OC
SPLASH splash10-0a50-0009000000-62f11daf131b582339a1
Source of Spectrum KC-61-10661-37
Synonyms Methyl 2-{[2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-propenyl][(4-nitrophenyl)sulfonyl]amino}-4-pentenoate
Wiley ID 1631110