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2,4,6,8-Tetrakis(N-methylanilino)pyrimido[5,4-D]pyrimidine

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2,4,6,8-Tetrakis(N-methylanilino)pyrimido[5,4-D]pyrimidine
SpectraBase Compound ID 5ZbSaML5B6R
InChI InChI=1S/C34H32N8/c1-39(25-17-9-5-10-18-25)31-29-30(36-33(37-31)41(3)27-21-13-7-14-22-27)32(40(2)26-19-11-6-12-20-26)38-34(35-29)42(4)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKey ATWQZHCKRRSXMR-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C34H32N8
Exact Mass 552.274993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 73XrCpfJYBs
Name 2,4,6,8-Tetrakis(N-methylanilino)pyrimido[5,4-D]pyrimidine
Comments Computed using HOSE algorithm
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Exact Mass 552.274993062 u
Formula C34H32N8
InChI InChI=1S/C34H32N8/c1-39(25-17-9-5-10-18-25)31-29-30(36-33(37-31)41(3)27-21-13-7-14-22-27)32(40(2)26-19-11-6-12-20-26)38-34(35-29)42(4)28-23-15-8-16-24-28/h5-24H,1-4H3
InChIKey ATWQZHCKRRSXMR-UHFFFAOYSA-N
Molecular Weight 552.686 g/mol
SMILES C=1C=C(N(C=2C3=C(C(=NC(=N3)N(C)C=3C=CC=CC3)N(C)C=3C=CC=CC3)N=C(N2)N(C)C=2C=CC=CC2)C)C=CC1