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1H-purine-2,6-dione, 8-[[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]thio]-3,7-dihydro-1,3,7-trimethyl-
SpectraBase Compound ID 1k6s3POIxnp
InChI InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22)
InChIKey MIBKBBRWBSLLJI-UHFFFAOYSA-N
Mol Weight 417.49 g/mol
Molecular Formula C17H23N9O2S
Exact Mass 417.169542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hjrpcgkJdF
Name 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethylpurine-2,6-dione
Alternate Name(s) 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-1,3,7-trimethyl-xanthine 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-1,3,7-trimethylpurine-2,6-dione 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-1,3,7-trimethyl-purine-2,6-dione
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Formula C17H23N9O2S
InChI InChI=1S/C17H23N9O2S/c1-23-11-12(24(2)17(28)25(3)13(11)27)21-16(23)29-9-10-19-14(18)22-15(20-10)26-7-5-4-6-8-26/h4-9H2,1-3H3,(H2,18,19,20,22)
InChIKey MIBKBBRWBSLLJI-UHFFFAOYSA-N
Molecular Weight 417.492 g/mol
SMILES Nc1nc(nc(n1)CSc1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)N1CCCCC1
SPLASH splash10-0006-2910200000-0c98a10d21a74c48d6bf
Wiley ID 1462739