2,4,6,8-Tetra-o-toluidinopyrimido[5,4-D]pyrimidine

SpectraBase Compound ID	8pP4snzp40a
InChI	InChI=1S/C34H32N8/c1-21-13-5-9-17-25(21)35-31-29-30(40-33(41-31)37-27-19-11-7-15-23(27)3)32(36-26-18-10-6-14-22(26)2)42-34(39-29)38-28-20-12-8-16-24(28)4/h5-20H,1-4H3,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKey	CCCBRHQGLFNOPX-UHFFFAOYSA-N Google Search
Mol Weight	552.7 g/mol
Molecular Formula	C34H32N8
Exact Mass	552.274993 g/mol

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SpectraBase Spectrum ID	Gy7N9nZXs4p
Name	2,4,6,8-Tetra-o-toluidinopyrimido[5,4-D]pyrimidine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	552.274993062 u
Formula	C34H32N8
InChI	InChI=1S/C34H32N8/c1-21-13-5-9-17-25(21)35-31-29-30(40-33(41-31)37-27-19-11-7-15-23(27)3)32(36-26-18-10-6-14-22(26)2)42-34(39-29)38-28-20-12-8-16-24(28)4/h5-20H,1-4H3,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKey	CCCBRHQGLFNOPX-UHFFFAOYSA-N
Molecular Weight	552.686 g/mol
SMILES	N(C1=NC(=NC2=C1N=C(N=C2NC1=C(C=CC=C1)C)NC=1C(C)=CC=CC1)NC1=C(C)C=CC=C1)C1=C(C)C=CC=C1