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2,4-Diamino-6-[3,4-dichloroanilinomethyl]pteridine

View entire compound with spectra: 1 NMR

2,4-Diamino-6-[3,4-dichloroanilinomethyl]pteridine
SpectraBase Compound ID EaBQMU75eDq
InChI InChI=1S/C13H11Cl2N7/c14-8-2-1-6(3-9(8)15)18-4-7-5-19-12-10(20-7)11(16)21-13(17)22-12/h1-3,5,18H,4H2,(H4,16,17,19,21,22)
InChIKey TXPXWHWOZPELSA-UHFFFAOYSA-N
Mol Weight 336.19 g/mol
Molecular Formula C13H11Cl2N7
Exact Mass 335.045299 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AbeEeAFAkso
Name 2,4-Diamino-6-[3,4-dichloroanilinomethyl]pteridine
Comments Computed using HOSE algorithm
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Exact Mass 335.045298782 u
Formula C13H11Cl2N7
InChI InChI=1S/C13H11Cl2N7/c14-8-2-1-6(3-9(8)15)18-4-7-5-19-12-10(20-7)11(16)21-13(17)22-12/h1-3,5,18H,4H2,(H4,16,17,19,21,22)
InChIKey TXPXWHWOZPELSA-UHFFFAOYSA-N
Molecular Weight 336.186 g/mol
SMILES C1=2C(=C(N=C(N2)N)N)N=C(C=N1)CNC1=CC=C(C(=C1)Cl)Cl