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-1-(4-methylphenyl)-6-(1-methylpropyl)-2-thioxo-
SpectraBase Compound ID 1Dc72jULdq5
InChI InChI=1S/C17H22N4OS/c1-4-12(3)20-9-14-15(18-10-20)21(17(23)19-16(14)22)13-7-5-11(2)6-8-13/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)
InChIKey ZTAFPFYECZOOPH-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 EKQ4v7Vp6Ip
Name Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-1-(4-methylphenyl)-6-(1-methylpropyl)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22N4OS
InChI InChI=1S/C17H22N4OS/c1-4-12(3)20-9-14-15(18-10-20)21(17(23)19-16(14)22)13-7-5-11(2)6-8-13/h5-8,12,18H,4,9-10H2,1-3H3,(H,19,22,23)
InChIKey ZTAFPFYECZOOPH-UHFFFAOYSA-N
Molecular Weight 330.450 g/mol
SMILES N1C(N(C2=C(C1=O)CN(CN2)C(CC)C)c1ccc(cc1)C)=S
SPLASH splash10-0a4l-9421000000-433db72b9dde1c57b843
Source of Spectrum IY-2-4799-7
Synonyms 6-Butan-2-yl-1-(4-methylphenyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1655980