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N-(2-{[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
SpectraBase Compound ID HrcaACiSs2w
InChI InChI=1S/C16H23N7O2/c1-22(2)13-19-14(23(3)4)21-16(20-13)25-11-10-17-15(24)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,18,24)
InChIKey LWLOTPVFYRBKSO-UHFFFAOYSA-N
Mol Weight 345.41 g/mol
Molecular Formula C16H23N7O2
Exact Mass 345.191323 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9rpd02iiHwN
Name N-(2-{[4,6-bis(Dimethylamino)-1,3,5-triazin-2-yl]oxy}ethyl)-N'-phenylurea
Comments Computed using HOSE algorithm
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Exact Mass 345.191323007 u
Formula C16H23N7O2
InChI InChI=1S/C16H23N7O2/c1-22(2)13-19-14(23(3)4)21-16(20-13)25-11-10-17-15(24)18-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H2,17,18,24)
InChIKey LWLOTPVFYRBKSO-UHFFFAOYSA-N
Molecular Weight 345.407 g/mol
SMILES N(C(NCCOC=1N=C(N=C(N1)N(C)C)N(C)C)=O)C=1C=CC=CC1