2,4,6,8-Tetrakis(o-chloroanilino)pyrimido[5,4-D]pyrimidine

SpectraBase Compound ID	FkghAit29ji
InChI	InChI=1S/C30H20Cl4N8/c31-17-9-1-5-13-21(17)35-27-25-26(40-29(41-27)37-23-15-7-3-11-19(23)33)28(36-22-14-6-2-10-18(22)32)42-30(39-25)38-24-16-8-4-12-20(24)34/h1-16H,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKey	IGSKYXIZTAWOAJ-UHFFFAOYSA-N Google Search
Mol Weight	634.4 g/mol
Molecular Formula	C30H20Cl4N8
Exact Mass	632.056503 g/mol

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SpectraBase Spectrum ID	5wpM49yP23i
Name	2,4,6,8-Tetrakis(o-chloroanilino)pyrimido[5,4-D]pyrimidine
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	632.056503476 u
Formula	C30H20Cl4N8
InChI	InChI=1S/C30H20Cl4N8/c31-17-9-1-5-13-21(17)35-27-25-26(40-29(41-27)37-23-15-7-3-11-19(23)33)28(36-22-14-6-2-10-18(22)32)42-30(39-25)38-24-16-8-4-12-20(24)34/h1-16H,(H2,35,37,40,41)(H2,36,38,39,42)
InChIKey	IGSKYXIZTAWOAJ-UHFFFAOYSA-N
SMILES	N(C1=NC(=NC2=C1N=C(N=C2NC1=C(C=CC=C1)Cl)NC=1C(Cl)=CC=CC1)NC1=C(Cl)C=CC=C1)C1=CC=CC=C1Cl