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8-Oxo-3,4-diphenyl-7-(4-nitrophenyl)-6-(pyrrolidino)-7,8-dihydropyrimido[4',5':4,5]thieno[2,3-c]pyridazine
SpectraBase Compound ID ASr7xVo61db
InChI InChI=1S/C30H22N6O3S/c37-29-27-26(31-30(34-17-7-8-18-34)35(29)21-13-15-22(16-14-21)36(38)39)24-23(19-9-3-1-4-10-19)25(32-33-28(24)40-27)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2
InChIKey QFXIXUZPBTWCMH-UHFFFAOYSA-N
Mol Weight 546.61 g/mol
Molecular Formula C30H22N6O3S
Exact Mass 546.14741 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3dLRWCTV4A9
Name 8-Oxo-3,4-diphenyl-7-(4-nitrophenyl)-6-(pyrrolidino)-7,8-dihydropyrimido[4',5':4,5]thieno[2,3-c]pyridazine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H22N6O3S
InChI InChI=1S/C30H22N6O3S/c37-29-27-26(31-30(34-17-7-8-18-34)35(29)21-13-15-22(16-14-21)36(38)39)24-23(19-9-3-1-4-10-19)25(32-33-28(24)40-27)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2
InChIKey QFXIXUZPBTWCMH-UHFFFAOYSA-N
Molecular Weight 546.605 g/mol
SMILES c12c(c3c(c(-c4ccccc4)nnc3s1)-c1ccccc1)N=C(N(C2=O)c1ccc(N(=O)=O)cc1)N1CCCC1
SPLASH splash10-00di-9413030000-25b6814a898c335cae0f
Source of Spectrum H1-45-1333-6
Synonyms 7-(4-nitrophenyl)-3,4-diphenyl-6-(1-pyrrolidinyl)pyrimido[4',5':4,5]thieno[2,3-c]pyridazin-8(7H)-one 7-(4-nitrophenyl)-3,4-diphenyl-6-(1-pyrrolidinyl)-8-pyrimido[4,5]thieno[1,2-d]pyridazinone 7-(4-nitrophenyl)-3,4-diphenyl-6-pyrrolidin-1-ylpyrimido[4,5]thieno[1,2-d]pyridazin-8-one 7-(4-nitrophenyl)-3,4-diphenyl-6-pyrrolidin-1-yl-pyrimido[4,5]thieno[1,2-d]pyridazin-8-one
Wiley ID 815818