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6,8-Diamino-2,3-dihydro-2-(4''-nitrophenyl)-4-(4'-nitrostyryl)-1H-pyrimido[4,5-B]-[1,4]diazepine
SpectraBase Compound ID FggKqsAPlC7
InChI InChI=1S/C21H18N8O4/c22-17-11-18(23)26-21-19(25-17)16(10-3-12-1-6-14(7-2-12)28(30)31)24-20(27-21)13-4-8-15(9-5-13)29(32)33/h1-11,20,24H,23H2,(H2,22,25)(H,26,27)/b10-3+
InChIKey OSZPVGSFEBQDJF-XCVCLJGOSA-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 C7CBnBuLo
Name 6,8-Diamino-2,3-dihydro-2-(4"-nitrophenyl)-4-(4'-nitrostyryl)-1H-pyrimido[4,5-b]-[1,4]diazepine
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N8O4
InChI InChI=1S/C21H18N8O4/c22-17-11-18(23)26-21-19(25-17)16(10-3-12-1-6-14(7-2-12)28(30)31)24-20(27-21)13-4-8-15(9-5-13)29(32)33/h1-11,20,24H,23H2,(H2,22,25)(H,26,27)/b10-3+
InChIKey OSZPVGSFEBQDJF-XCVCLJGOSA-N
Molecular Weight 446.427 g/mol
SMILES NC1=CC(=NC=2C(=N1)NC(NC2\C=C\c1ccc(N(=O)=O)cc1)c1ccc(N(=O)=O)cc1)N
SPLASH splash10-000f-9705000000-ea6498ccaf6f53b7a996
Source of Spectrum Y-36-936-3
Synonyms 2-(4-nitrophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-diamine 6-Amino-2-(4-nitrophenyl)-4-[(E)-2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-8-ylamine
Wiley ID 762494