For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(1-methylpropyl)-1-(phenylmethyl)-2-thioxo-
SpectraBase Compound ID 6zHVKz5xDxr
InChI InChI=1S/C17H22N4OS/c1-3-12(2)20-10-14-15(18-11-20)21(17(23)19-16(14)22)9-13-7-5-4-6-8-13/h4-8,12,18H,3,9-11H2,1-2H3,(H,19,22,23)
InChIKey JJOXOSLUFAESLU-UHFFFAOYSA-N
Mol Weight 330.45 g/mol
Molecular Formula C17H22N4OS
Exact Mass 330.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID ERvtsJ50XVz
Name Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(1-methylpropyl)-1-(phenylmethyl)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4OS
InChI InChI=1S/C17H22N4OS/c1-3-12(2)20-10-14-15(18-11-20)21(17(23)19-16(14)22)9-13-7-5-4-6-8-13/h4-8,12,18H,3,9-11H2,1-2H3,(H,19,22,23)
InChIKey JJOXOSLUFAESLU-UHFFFAOYSA-N
Molecular Weight 330.450 g/mol
SMILES N1CN(CC2=C1N(C(NC2=O)=S)Cc1ccccc1)C(CC)C
SPLASH splash10-052f-9100000000-70e7f69510729d40eabc
Source of Spectrum IY-2-4836-4
Synonyms 1-Benzyl-6-butan-2-yl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-Butan-2-yl-1-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1656347