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2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
SpectraBase Compound ID J5KScdb3IwH
InChI InChI=1S/C23H20N6O3S/c1-13-4-9-16-17(10-13)33-21(26-16)14-5-7-15(8-6-14)25-18(30)11-29-12-24-20-19(29)22(31)28(3)23(32)27(20)2/h4-10,12H,11H2,1-3H3,(H,25,30)
InChIKey DMLMTVJLIBVVSY-UHFFFAOYSA-N
Mol Weight 460.51 g/mol
Molecular Formula C23H20N6O3S
Exact Mass 460.13176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE8BR9aH3Lt
Name 2-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
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Formula C23H20N6O3S
InChI InChI=1S/C23H20N6O3S/c1-13-4-9-16-17(10-13)33-21(26-16)14-5-7-15(8-6-14)25-18(30)11-29-12-24-20-19(29)22(31)28(3)23(32)27(20)2/h4-10,12H,11H2,1-3H3,(H,25,30)
InChIKey DMLMTVJLIBVVSY-UHFFFAOYSA-N
Molecular Weight 460.512 g/mol
SMILES N(C(=O)C[n]1cnc2c1C(N(C(N2C)=O)C)=O)c1ccc(cc1)-c1nc2ccc(cc2s1)C
SPLASH splash10-000x-9880000000-f38a9aa451b7f116d32b
Synonyms 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide
Wiley ID 1466078