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7,9-Diamino-11-(4-methoxy-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
SpectraBase Compound ID AGJIyQ4rjL8
InChI InChI=1S/C21H18N6O2/c1-29-11-8-6-10(7-9-11)15-14-16(12-4-2-3-5-13(12)18(14)28)25-20-17(24-15)19(22)26-21(23)27-20/h2-9,14-15,24H,1H3,(H4,22,23,26,27)
InChIKey OCYXZLHTZMUQEJ-UHFFFAOYSA-N
Mol Weight 386.42 g/mol
Molecular Formula C21H18N6O2
Exact Mass 386.149124 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Mb1scQBJis
Name 7,9-Diamino-11-(4-methoxy-phenyl)-11,11a-dihydro-10H-5,6,8,10-tetraaza-dibenzo[a,g]azulen-12-one
Alternate Name(s) 9,11-Diamino-6-(4-methoxyphenyl)-6,7-dihydroindeno[1,2-e]pyrimido[4,5-b][1,4]diazepin-5(5aH)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N6O2
InChI InChI=1S/C21H18N6O2/c1-29-11-8-6-10(7-9-11)15-14-16(12-4-2-3-5-13(12)18(14)28)25-20-17(24-15)19(22)26-21(23)27-20/h2-9,14-15,24H,1H3,(H4,22,23,26,27)
InChIKey OCYXZLHTZMUQEJ-UHFFFAOYSA-N
Molecular Weight 386.415 g/mol
SMILES Nc1nc(c2c(n1)N=C1C(C(c3ccccc13)=O)C(N2)c1ccc(cc1)OC)N
SPLASH splash10-0f79-0069000000-1399a8f16b57d11206f1
Source of Spectrum Y-45-1662-7f
Wiley ID 1666526