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1-(2,3-dimethylphenyl)-6-propyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
SpectraBase Compound ID JX5ZBUcZ6m8
InChI InChI=1S/C17H22N4OS/c1-4-8-20-9-13-15(18-10-20)21(17(23)19-16(13)22)14-7-5-6-11(2)12(14)3/h5-7,18H,4,8-10H2,1-3H3,(H,19,22,23)
InChIKey ZJWBTIPSOQFXIS-UHFFFAOYSA-N
Mol Weight 330.45 g/mol
Molecular Formula C17H22N4OS
Exact Mass 330.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FzDb4UJPyd0
Name 1-(2,3-dimethylphenyl)-6-propyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
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Formula C17H22N4OS
InChI InChI=1S/C17H22N4OS/c1-4-8-20-9-13-15(18-10-20)21(17(23)19-16(13)22)14-7-5-6-11(2)12(14)3/h5-7,18H,4,8-10H2,1-3H3,(H,19,22,23)
InChIKey ZJWBTIPSOQFXIS-UHFFFAOYSA-N
Molecular Weight 330.450 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)CCC)c1c(c(ccc1)C)C)=S
SPLASH splash10-0006-7962000000-9e722b17bb8e2788071d
Source of Spectrum IY-2-4969-6
Synonyms Pyrimido[4,5-d]pyrimidin-4(1H)-one, 1-(2,3-dimethylphenyl)-2,3,5,6,7,8-hexahydro-6-propyl-2-thioxo- 1-(2,3-dimethylphenyl)-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1657679