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2-(4-ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
SpectraBase Compound ID Eb0Smn08o3A
InChI InChI=1S/C27H29N5O2S2/c1-4-29-13-15-30(16-14-29)24-21(25(33)31-12-8-9-18(2)23(31)28-24)17-22-26(34)32(27(35)36-22)19(3)20-10-6-5-7-11-20/h5-12,17,19H,4,13-16H2,1-3H3/b22-17-
InChIKey LRIIOQAVIXFRHU-XLNRJJMWSA-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 DZSCGONOAMa
Name 2-(4-Ethyl-1-piperazinyl)-9-methyl-3-{(Z)-[4-oxo-3-(1-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]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/c1-4-29-13-15-30(16-14-29)24-21(25(33)31-12-8-9-18(2)23(31)28-24)17-22-26(34)32(27(35)36-22)19(3)20-10-6-5-7-11-20/h5-12,17,19H,4,13-16H2,1-3H3/b22-17-
InChIKey LRIIOQAVIXFRHU-XLNRJJMWSA-N
Molecular Weight 519.682 g/mol
SMILES C1(=C(N=C2N(C1=O)C=CC=C2C)N1CCN(CC1)CC)\C=C\1C(N(C(C=2C=CC=CC2)C)C(S1)=S)=O