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Propanamide, 3-[[7-[(2,6-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(3,4-dimethylphenyl)-
SpectraBase Compound ID 9kiOtD0LOql
InChI InChI=1S/C25H25Cl2N5O3S/c1-14-8-9-16(12-15(14)2)28-20(33)10-11-36-24-29-22-21(23(34)31(4)25(35)30(22)3)32(24)13-17-18(26)6-5-7-19(17)27/h5-9,12H,10-11,13H2,1-4H3,(H,28,33)
InChIKey SRLBNKGQNMICLB-UHFFFAOYSA-N
Mol Weight 546.47 g/mol
Molecular Formula C25H25Cl2N5O3S
Exact Mass 545.105516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JYu7mXAAV8S
Name Propanamide, 3-[[7-[(2,6-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]thio]-N-(3,4-dimethylphenyl)-
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Formula C25H25Cl2N5O3S
InChI InChI=1S/C25H25Cl2N5O3S/c1-14-8-9-16(12-15(14)2)28-20(33)10-11-36-24-29-22-21(23(34)31(4)25(35)30(22)3)32(24)13-17-18(26)6-5-7-19(17)27/h5-9,12H,10-11,13H2,1-4H3,(H,28,33)
InChIKey SRLBNKGQNMICLB-UHFFFAOYSA-N
Molecular Weight 546.473 g/mol
SMILES N(C(CCSc1nc2c([n]1Cc1c(cccc1Cl)Cl)C(=O)N(C)C(=O)N2C)=O)c1cc(c(cc1)C)C
SPLASH splash10-000j-4629040000-8d96b89970362a23c4bb
Source of Spectrum IY-1-4600-2
Synonyms 3-[[7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]thio]-N-(3,4-dimethylphenyl)propanamide 3-[7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxopurin-8-yl]sulfanyl-N-(3,4-dimethylphenyl)propanamide 3-[7-[(2,6-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]sulfanyl-N-(3,4-dimethylphenyl)propanamide 3-[7-[[2,6-bis(chloranyl)phenyl]methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-N-(3,4-dimethylphenyl)propanamide
Wiley ID 1653985