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6,8-Diamino-2,3-dihydro-2-(4'-nitrophenyl)-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]diazepine
SpectraBase Compound ID I6fGWqeZgq9
InChI InChI=1S/C21H18N8O4/c22-19-18-20(27-21(23)26-19)25-17(13-4-9-16(10-5-13)29(32)33)11-14(24-18)6-1-12-2-7-15(8-3-12)28(30)31/h1-10,17H,11H2,(H5,22,23,25,26,27)/b6-1+
InChIKey YOUDYCKJEOOCFH-LZCJLJQNSA-N
Mol Weight 446.43 g/mol
Molecular Formula C21H18N8O4
Exact Mass 446.145101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2vL69kF9eF9
Name 6,8-Diamino-2,3-dihydro-2-(4'-nitrophenyl)-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]diazepine
Alternate Name(s) 8-(4-nitrophenyl)-6-[(E)-2-(4-nitrophenyl)vinyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine 8-(4-nitrophenyl)-6-[(E)-2-(4-nitrophenyl)ethenyl]-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N8O4
InChI InChI=1S/C21H18N8O4/c22-19-18-20(27-21(23)26-19)25-17(13-4-9-16(10-5-13)29(32)33)11-14(24-18)6-1-12-2-7-15(8-3-12)28(30)31/h1-10,17H,11H2,(H5,22,23,25,26,27)/b6-1+
InChIKey YOUDYCKJEOOCFH-LZCJLJQNSA-N
Molecular Weight 446.427 g/mol
SMILES N1C(CC(=Nc2c1nc(nc2N)N)\C=C\c1ccc(N(=O)=O)cc1)c1ccc(N(=O)=O)cc1
SPLASH splash10-000f-9705000000-86f876017cc9cb7fbf7f
Source of Spectrum Y-36-936-3
Wiley ID 762602