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11-Amino-6-(4-methylphenyl)-6,7-dihydroindeno[1,2-e]pyrimido[4,5-b][1,4]diazepin-5(5aH)-one
SpectraBase Compound ID 4t8nDcPGG2A
InChI InChI=1S/C21H17N5O/c1-11-6-8-12(9-7-11)16-15-17(13-4-2-3-5-14(13)19(15)27)26-21-18(25-16)20(22)23-10-24-21/h2-10,15-16,25H,1H3,(H2,22,23,24)
InChIKey YKRWNFUKAUWTFG-UHFFFAOYSA-N
Mol Weight 355.4 g/mol
Molecular Formula C21H17N5O
Exact Mass 355.14331 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59FdRY7znwM
Name 11-Amino-6-(4-methylphenyl)-6,7-dihydroindeno[1,2-e]pyrimido[4,5-b][1,4]diazepin-5(5aH)-one
Alternate Name(s) 7,9-Diamino-11-p-tolyl-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N5O
InChI InChI=1S/C21H17N5O/c1-11-6-8-12(9-7-11)16-15-17(13-4-2-3-5-14(13)19(15)27)26-21-18(25-16)20(22)23-10-24-21/h2-10,15-16,25H,1H3,(H2,22,23,24)
InChIKey YKRWNFUKAUWTFG-UHFFFAOYSA-N
Molecular Weight 355.401 g/mol
SMILES N1C(C2C(=Nc3c1c(ncn3)N)c1ccccc1C2=O)c1ccc(cc1)C
SPLASH splash10-0a4r-0049000000-2a600d3e57caebfff87e
Source of Spectrum Y-45-1661-4e
Wiley ID 1666532