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3-Benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
SpectraBase Compound ID 7vbCaBHIPoh
InChI InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey KERAOQDCCCRYKN-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CkTsvCJtG6F
Name 3-Benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey KERAOQDCCCRYKN-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
SMILES N1C(N(c2c(C1=S)[n](cn2)C)Cc1ccccc1)=O
SPLASH splash10-006x-9240000000-03d25050565937c30273
Synonyms 3-Benzyl-7-methyl-6-sulfanylidenepurin-2-one 3-Benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-2H-purin-2-one 3-Benzyl-7-methyl-6-thioxo-purin-2-one 7-Methyl-3-(phenylmethyl)-6-sulfanylidene-2-purinone 7-Methyl-3-(phenylmethyl)-6-sulfanylidene-purin-2-one
Wiley ID 1460266