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6-[(4S)-5-(1,3-dimethyl-2,4-dioxo-6-pteridinyl)-4-methyl-1,5-dioxopentyl]-1,3-dimethylpteridine-2,4-dione
SpectraBase Compound ID 5fDKuDmuBfh
InChI InChI=1S/C22H22N8O6/c1-10(16(32)12-9-24-18-15(26-12)20(34)30(5)22(36)28(18)3)6-7-13(31)11-8-23-17-14(25-11)19(33)29(4)21(35)27(17)2/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKey JMOFLFSGHPQKQS-JTQLQIEISA-N
Mol Weight 494.47 g/mol
Molecular Formula C22H22N8O6
Exact Mass 494.16623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F5S0JhSLEWp
Name 6-[(4S)-5-(1,3-dimethyl-2,4-dioxo-6-pteridinyl)-4-methyl-1,5-dioxopentyl]-1,3-dimethylpteridine-2,4-dione
Alternate Name(s) 6-[(4S)-5-(1,3-dimethyl-2,4-dioxo-pteridin-6-yl)-4-methyl-5-oxo-pentanoyl]-1,3-dimethyl-pteridine-2,4-dione 6-[(4S)-5-(2,4-diketo-1,3-dimethyl-pteridin-6-yl)-5-keto-4-methyl-pentanoyl]-1,3-dimethyl-pteridine-2,4-quinone 6-[(4S)-5-[1,3-dimethyl-2,4-bis(oxidanylidene)pteridin-6-yl]-4-methyl-5-oxidanylidene-pentanoyl]-1,3-dimethyl-pteridine-2,4-dione
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Formula C22H22N8O6
InChI InChI=1S/C22H22N8O6/c1-10(16(32)12-9-24-18-15(26-12)20(34)30(5)22(36)28(18)3)6-7-13(31)11-8-23-17-14(25-11)19(33)29(4)21(35)27(17)2/h8-10H,6-7H2,1-5H3/t10-/m0/s1
InChIKey JMOFLFSGHPQKQS-JTQLQIEISA-N
Molecular Weight 494.468 g/mol
SMILES C1(N(C(c2c(N1C)ncc(n2)C(CC[C@@](C(c1nc2C(N(C)C(N(c2nc1)C)=O)=O)=O)(C)[H])=O)=O)C)=O
SPLASH splash10-0296-0390200000-e640cb536eb55fdfa967
Source of Spectrum H1-42-128-3
Wiley ID 757600