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Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(1-methylethyl)-1-(phenylmethyl)-2-thioxo-
SpectraBase Compound ID Ldsx9Frf6zl
InChI InChI=1S/C16H20N4OS/c1-11(2)19-9-13-14(17-10-19)20(16(22)18-15(13)21)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,21,22)
InChIKey LRMXZRICKQRHHZ-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 fwnmytnXXP
Name Pyrimido[4,5-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-6-(1-methylethyl)-1-(phenylmethyl)-2-thioxo-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20N4OS
InChI InChI=1S/C16H20N4OS/c1-11(2)19-9-13-14(17-10-19)20(16(22)18-15(13)21)8-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3,(H,18,21,22)
InChIKey LRMXZRICKQRHHZ-UHFFFAOYSA-N
Molecular Weight 316.423 g/mol
SMILES N1CN(CC2=C1N(C(NC2=O)=S)Cc1ccccc1)C(C)C
SPLASH splash10-0006-9211000000-2b3911f7726a1b344904
Source of Spectrum IY-2-4836-3
Synonyms 1-Benzyl-6-propan-2-yl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one 1-(Phenylmethyl)-6-propan-2-yl-2-sulfanylidene-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one
Wiley ID 1656346