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4-(methoxymethyl)-6-methyl-2-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]nicotinonitrile
SpectraBase Compound ID Ed1Zpiz9V2U
InChI InChI=1S/C17H18N6O3S/c1-9-6-10(8-26-5)11(7-18)14(19-9)27-16-20-13-12(21(16)2)15(24)23(4)17(25)22(13)3/h6H,8H2,1-5H3
InChIKey VNEXLRVTNBNJHJ-UHFFFAOYSA-N
Mol Weight 386.43 g/mol
Molecular Formula C17H18N6O3S
Exact Mass 386.11611 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JhGd5k4pM
Name 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile
Alternate Name(s) 4-(methoxymethyl)-6-methyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-pyridine-3-carbonitrile 4-(methoxymethyl)-6-methyl-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]-3-pyridinecarbonitrile 4-(methoxymethyl)-6-methyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-pyridine-3-carbonitrile
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Formula C17H18N6O3S
InChI InChI=1S/C17H18N6O3S/c1-9-6-10(8-26-5)11(7-18)14(19-9)27-16-20-13-12(21(16)2)15(24)23(4)17(25)22(13)3/h6H,8H2,1-5H3
InChIKey VNEXLRVTNBNJHJ-UHFFFAOYSA-N
Molecular Weight 386.430 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)Sc1c(c(COC)cc(n1)C)C#N
SPLASH splash10-002s-7967000000-10f39e8c0a925e8a1102
Wiley ID 1453758