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1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
SpectraBase Compound ID CFfBp3HI8nl
InChI InChI=1S/C9H9N5O2/c1-12-5(4-10)11-7-6(12)8(15)14(3)9(16)13(7)2/h1-3H3
InChIKey LYHFEJUGBVVGIC-UHFFFAOYSA-N
Mol Weight 219.2 g/mol
Molecular Formula C9H9N5O2
Exact Mass 219.075625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62gUEipI72w
Name 1,3,7-Trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carbonitrile
CAS Registry Number 89588-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N5O2
InChI InChI=1S/C9H9N5O2/c1-12-5(4-10)11-7-6(12)8(15)14(3)9(16)13(7)2/h1-3H3
InChIKey LYHFEJUGBVVGIC-UHFFFAOYSA-N
Molecular Weight 219.204 g/mol
SMILES c12c(C(=O)N(C(N2C)=O)C)[n](C)c(n1)C#N
SPLASH splash10-0159-9750000000-1f4203c186e27abad8d6
Source of Spectrum AD-0-2532-0
Synonyms 1,3,7-trimethyl-2,6-bis(oxidanylidene)purine-8-carbonitrile 1,3,7-trimethyl-2,6-dioxo-8-purinecarbonitrile 1,3,7-trimethyl-2,6-dioxo-purine-8-carbonitrile 1H-Purine-8-carbonitrile, 2,3,6,7-tetrahydro-1,3,7-trimethyl-2,6-dioxo- 2,6-Diketo-1,3,7-trimethyl-purine-8-carbonitrile
Wiley ID 1430725