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(ne)-N-[Anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-10-phenothiazinecarboxamide
SpectraBase Compound ID 6UvRfiV9Tai
InChI InChI=1S/C26H22N6OS/c1-17-16-18(2)28-24(27-17)30-25(29-19-10-4-3-5-11-19)31-26(33)32-20-12-6-8-14-22(20)34-23-15-9-7-13-21(23)32/h3-16H,1-2H3,(H2,27,28,29,30,31,33)
InChIKey RYLRKPUFUBTETO-UHFFFAOYSA-N
Mol Weight 466.56 g/mol
Molecular Formula C26H22N6OS
Exact Mass 466.157581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BmWNfTvKyDI
Name (ne)-N-[Anilino-[(4,6-dimethyl-2-pyrimidinyl)amino]methylidene]-10-phenothiazinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 466.157580525 u
Formula C26H22N6OS
InChI InChI=1S/C26H22N6OS/c1-17-16-18(2)28-24(27-17)30-25(29-19-10-4-3-5-11-19)31-26(33)32-20-12-6-8-14-22(20)34-23-15-9-7-13-21(23)32/h3-16H,1-2H3,(H2,27,28,29,30,31,33)
InChIKey RYLRKPUFUBTETO-UHFFFAOYSA-N
Molecular Weight 466.563 g/mol
SMILES C(N1C2=C(C=CC=C2)SC2=C1C=CC=C2)(\N=C/(NC1=NC(C)=CC(=N1)C)NC=1C=CC=CC1)=O