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6-Amino-1,3-dimethyl-5-(2-thiocyanato-acetyl)-1H-pyrimidine-2,4-dione
SpectraBase Compound ID 36IVDSqIpry
InChI InChI=1S/C9H10N4O3S/c1-12-7(11)6(5(14)3-17-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3
InChIKey DDNKOTJPUNYLJX-UHFFFAOYSA-N
Mol Weight 254.26 g/mol
Molecular Formula C9H10N4O3S
Exact Mass 254.047361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9qunLeRefsN
Name 6-Amino-1,3-dimethyl-5-(2-thiocyanato-acetyl)-1H-pyrimidine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N4O3S
InChI InChI=1S/C9H10N4O3S/c1-12-7(11)6(5(14)3-17-4-10)8(15)13(2)9(12)16/h3,11H2,1-2H3
InChIKey DDNKOTJPUNYLJX-UHFFFAOYSA-N
Molecular Weight 254.264 g/mol
SMILES NC=1N(C(N(C(=O)C1C(=O)CSC#N)C)=O)C
SPLASH splash10-000t-4900000000-ee4ddc320ea973f8ce44
Synonyms 2-(6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-2-oxoethyl thiocyanate thiocyanic acid [2-(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)-2-oxoethyl] ester [2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] thiocyanate [2-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)-2-oxo-ethyl] thiocyanate [2-[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]-2-oxidanylidene-ethyl] thiocyanate
Wiley ID 1450588