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2-N,4-N-bis(3-methylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
SpectraBase Compound ID EeJ2fQN3Zwg
InChI InChI=1S/C20H19N7S2/c1-12-6-4-8-15(10-12)21-17-23-18(22-16-9-5-7-13(2)11-16)25-19(24-17)29-20-27-26-14(3)28-20/h4-11H,1-3H3,(H2,21,22,23,24,25)
InChIKey DHRVBOSPBOPZOL-UHFFFAOYSA-N
Mol Weight 421.54 g/mol
Molecular Formula C20H19N7S2
Exact Mass 421.114336 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LFYoNetoJ7A
Name 2-N,4-N-bis(3-Methylphenyl)-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 421.114335988 u
Formula C20H19N7S2
InChI InChI=1S/C20H19N7S2/c1-12-6-4-8-15(10-12)21-17-23-18(22-16-9-5-7-13(2)11-16)25-19(24-17)29-20-27-26-14(3)28-20/h4-11H,1-3H3,(H2,21,22,23,24,25)
InChIKey DHRVBOSPBOPZOL-UHFFFAOYSA-N
Molecular Weight 421.541 g/mol
SMILES C1(=NC(NC=2C=C(C)C=CC2)=NC(=N1)NC1=CC(C)=CC=C1)SC=1SC(C)=NN1