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Pyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclopentyl-2,3,5,6,7,8-hexahydro-1-(phenylmethyl)-2-thioxo-
SpectraBase Compound ID AAK1UJoB4zH
InChI InChI=1S/C18H22N4OS/c23-17-15-11-21(14-8-4-5-9-14)12-19-16(15)22(18(24)20-17)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,20,23,24)
InChIKey BSIXBRDNOWTUSW-UHFFFAOYSA-N
Mol Weight 342.46 g/mol
Molecular Formula C18H22N4OS
Exact Mass 342.151433 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8X6bO9vxIci
Name Pyrimido[4,5-d]pyrimidin-4(1H)-one, 6-cyclopentyl-2,3,5,6,7,8-hexahydro-1-(phenylmethyl)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22N4OS
InChI InChI=1S/C18H22N4OS/c23-17-15-11-21(14-8-4-5-9-14)12-19-16(15)22(18(24)20-17)10-13-6-2-1-3-7-13/h1-3,6-7,14,19H,4-5,8-12H2,(H,20,23,24)
InChIKey BSIXBRDNOWTUSW-UHFFFAOYSA-N
Molecular Weight 342.461 g/mol
SMILES N1CN(CC2=C1N(C(NC2=O)=S)Cc1ccccc1)C1CCCC1
SPLASH splash10-0006-9000000000-aa0f29f1df87e5ee8e7b
Source of Spectrum IY-2-4836-2
Synonyms 1-Benzyl-6-cyclopentyl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 6-cyclopentyl-1-(phenylmethyl)-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1656345