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1-(4-Methylphenyl)-6-propyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one

View entire compound with spectra: 1 MS (GC)

1-(4-Methylphenyl)-6-propyl-2-sulfanylidene-1H,2H,3H,4H,5H,6H,7H,8H-[1,3]diazino[4,5-d]pyrimidin-4-one
SpectraBase Compound ID 5DDCvspw6um
InChI InChI=1S/C16H20N4OS/c1-3-8-19-9-13-14(17-10-19)20(16(22)18-15(13)21)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,18,21,22)
InChIKey AKXRNRGXBHHSET-UHFFFAOYSA-N
Mol Weight 316.42 g/mol
Molecular Formula C16H20N4OS
Exact Mass 316.135782 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzSz4Gf9o5w
Name 1-(4-Methylphenyl)-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 C16H20N4OS
InChI InChI=1S/C16H20N4OS/c1-3-8-19-9-13-14(17-10-19)20(16(22)18-15(13)21)12-6-4-11(2)5-7-12/h4-7,17H,3,8-10H2,1-2H3,(H,18,21,22)
InChIKey AKXRNRGXBHHSET-UHFFFAOYSA-N
Molecular Weight 316.423 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)CCC)c1ccc(cc1)C)=S
SPLASH splash10-0006-9521000000-c68d12d7de2ffcc390d9
Source of Spectrum IY-2-4956-4
Synonyms Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-1-(4-methylphenyl)-6-propyl-2-thioxo- 1-(4-Methylphenyl)-6-propyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1657547