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2-(4-benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one

View entire compound with spectra: 2 NMR

2-(4-benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID BFcSaE6wd3K
InChI InChI=1S/C27H29N5O2S2/c1-18(2)32-26(34)22(36-27(32)35)15-21-24(28-23-10-9-19(3)16-31(23)25(21)33)30-13-11-29(12-14-30)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3/b22-15-
InChIKey JLTADXPIGIGQJP-JCMHNJIXSA-N
Mol Weight 519.68 g/mol
Molecular Formula C27H29N5O2S2
Exact Mass 519.176268 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FsblojxumOA
Name 2-(4-Benzyl-1-piperazinyl)-3-[(Z)-(3-isopropyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-A]pyrimidin-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 519.176267540 u
Formula C27H29N5O2S2
InChI InChI=1S/C27H29N5O2S2/c1-18(2)32-26(34)22(36-27(32)35)15-21-24(28-23-10-9-19(3)16-31(23)25(21)33)30-13-11-29(12-14-30)17-20-7-5-4-6-8-20/h4-10,15-16,18H,11-14,17H2,1-3H3/b22-15-
InChIKey JLTADXPIGIGQJP-JCMHNJIXSA-N
Molecular Weight 519.682 g/mol
SMILES C1(=C(N=C2N(C1=O)C=C(C=C2)C)N1CCN(CC1)CC1=CC=CC=C1)\C=C\1C(N(C(C)C)C(S1)=S)=O