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acetamide, 2-[[7-[(3-chlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-
SpectraBase Compound ID Jw0ZVM0SeTt
InChI InChI=1S/C16H16ClN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey TUNPPVXEISLHSJ-UHFFFAOYSA-N
Mol Weight 393.85 g/mol
Molecular Formula C16H16ClN5O3S
Exact Mass 393.066238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GL96EWHl79J
Name 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanylethanamide
Alternate Name(s) 2-[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanylacetamide 2-[[7-(3-chlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]thio]acetamide 2-[[7-[(3-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]acetamide
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Formula C16H16ClN5O3S
InChI InChI=1S/C16H16ClN5O3S/c1-20-13-12(14(24)21(2)16(20)25)22(15(19-13)26-8-11(18)23)7-9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H2,18,23)
InChIKey TUNPPVXEISLHSJ-UHFFFAOYSA-N
Molecular Weight 393.849 g/mol
SMILES NC(CSc1nc2c([n]1Cc1cc(Cl)ccc1)C(=O)N(C(N2C)=O)C)=O
SPLASH splash10-004l-5912000000-ab5a999741a1bc1cb511
Wiley ID 1453355