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2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(2-ethylphenyl)acetamide
SpectraBase Compound ID 34XB9jVccRs
InChI InChI=1S/C18H21N5O3S/c1-5-11-8-6-7-9-12(11)19-13(24)10-27-17-20-15-14(21(17)2)16(25)23(4)18(26)22(15)3/h6-9H,5,10H2,1-4H3,(H,19,24)
InChIKey NTUMICHIIABCOH-UHFFFAOYSA-N
Mol Weight 387.46 g/mol
Molecular Formula C18H21N5O3S
Exact Mass 387.136511 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gWLmUgm7VB
Name 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N-(2-ethylphenyl)acetamide
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Formula C18H21N5O3S
InChI InChI=1S/C18H21N5O3S/c1-5-11-8-6-7-9-12(11)19-13(24)10-27-17-20-15-14(21(17)2)16(25)23(4)18(26)22(15)3/h6-9H,5,10H2,1-4H3,(H,19,24)
InChIKey NTUMICHIIABCOH-UHFFFAOYSA-N
Molecular Weight 387.458 g/mol
SMILES N(C(CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)=O)c1c(CC)cccc1
SPLASH splash10-0a6u-1490000000-acff946ce50019bd4d7b
Synonyms N-(2-ethylphenyl)-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide N-(2-ethylphenyl)-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide N-(2-ethylphenyl)-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide
Wiley ID 1442915