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Ethyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Ethyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 7VAEbtxbybx
InChI InChI=1S/C17H20N4O4S2/c1-2-25-16(24)14-9-5-3-4-6-10(9)27-15(14)20-13(23)8-26-17-19-11(18)7-12(22)21-17/h7H,2-6,8H2,1H3,(H,20,23)(H3,18,19,21,22)
InChIKey QQVMANGTJBOFSL-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C17H20N4O4S2
Exact Mass 408.092597 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3EcpHX066jS
Name Ethyl 2-({[(4-amino-6-oxo-1,6-dihydro-2-pyrimidinyl)sulfanyl]acetyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.092597484 u
Formula C17H20N4O4S2
InChI InChI=1S/C17H20N4O4S2/c1-2-25-16(24)14-9-5-3-4-6-10(9)27-15(14)20-13(23)8-26-17-19-11(18)7-12(22)21-17/h7H,2-6,8H2,1H3,(H,20,23)(H3,18,19,21,22)
InChIKey QQVMANGTJBOFSL-UHFFFAOYSA-N
Molecular Weight 408.491 g/mol
SMILES N(C1=C(C=2CCCCC2S1)C(=O)OCC)C(CSC1=NC(N)=CC(N1)=O)=O