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N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
SpectraBase Compound ID 4itUEmzR5Cf
InChI InChI=1S/C23H26N4OS/c1-13-16(18-12-15(28-3)8-9-19(18)25-13)10-11-24-22-21-17-6-4-5-7-20(17)29-23(21)27-14(2)26-22/h8-9,12,25H,4-7,10-11H2,1-3H3,(H,24,26,27)
InChIKey DVLHRHLMMMNMEL-UHFFFAOYSA-N
Mol Weight 406.55 g/mol
Molecular Formula C23H26N4OS
Exact Mass 406.182733 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EmXXo4R7M6
Name N-[2-(5-Methoxy-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5,6,7,8-tetrahydro[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 406.182732646 u
Formula C23H26N4OS
InChI InChI=1S/C23H26N4OS/c1-13-16(18-12-15(28-3)8-9-19(18)25-13)10-11-24-22-21-17-6-4-5-7-20(17)29-23(21)27-14(2)26-22/h8-9,12,25H,4-7,10-11H2,1-3H3,(H,24,26,27)
InChIKey DVLHRHLMMMNMEL-UHFFFAOYSA-N
Molecular Weight 406.548 g/mol
SMILES C1=2C(=C(NCCC3=C(NC4=C3C=C(C=C4)OC)C)N=C(N2)C)C2=C(S1)CCCC2