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5,6,7,8-Tetrahydro-2-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4-amine

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5,6,7,8-Tetrahydro-2-(4-methoxyphenyl)[1]benzothieno[2,3-d]pyrimidin-4-amine
SpectraBase Compound ID F9I5sGEYEmC
InChI InChI=1S/C17H17N3OS/c1-21-11-8-6-10(7-9-11)16-19-15(18)14-12-4-2-3-5-13(12)22-17(14)20-16/h6-9H,2-5H2,1H3,(H2,18,19,20)
InChIKey XZUXIMGVPTULEA-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C17H17N3OS
Exact Mass 311.109233 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CAe7QVODbyZ
Name 5,6,7,8-Tetrahydro-2-(4-methoxyphenyl)[1]benzothieno[2,3-D]pyrimidin-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.109233352 u
Formula C17H17N3OS
InChI InChI=1S/C17H17N3OS/c1-21-11-8-6-10(7-9-11)16-19-15(18)14-12-4-2-3-5-13(12)22-17(14)20-16/h6-9H,2-5H2,1H3,(H2,18,19,20)
InChIKey XZUXIMGVPTULEA-UHFFFAOYSA-N
Molecular Weight 311.403 g/mol
SMILES C1=2N=C(N=C(C2C=2CCCCC2S1)N)C1=CC=C(C=C1)OC