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6,7,8,9-Tetrahydro-2-phenyl-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
SpectraBase Compound ID DJVdZUXPJ9p
InChI InChI=1S/C17H17N3S/c18-15-14-12-9-5-2-6-10-13(12)21-17(14)20-16(19-15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,18,19,20)
InChIKey VDUZARUIOKBUQB-UHFFFAOYSA-N
Mol Weight 295.4 g/mol
Molecular Formula C17H17N3S
Exact Mass 295.114319 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3xgOMtgFhH1
Name 6,7,8,9-Tetrahydro-2-phenyl-5H-cyclohepta[4,5]thieno[2,3-D]pyrimidin-4-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 295.114318733 u
Formula C17H17N3S
InChI InChI=1S/C17H17N3S/c18-15-14-12-9-5-2-6-10-13(12)21-17(14)20-16(19-15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H2,18,19,20)
InChIKey VDUZARUIOKBUQB-UHFFFAOYSA-N
Molecular Weight 295.404 g/mol
SMILES C1=2N=C(N=C(C2C2=C(S1)CCCCC2)N)C1=CC=CC=C1