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6,8-Diamino-2,3-dihydro-2-(4"-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]-[1,4]diazepine
SpectraBase Compound ID C0T4HZwC76f
InChI InChI=1S/C21H18Cl2N6/c22-14-6-1-12(2-7-14)3-10-16-19-21(28-18(25)11-17(24)27-19)29-20(26-16)13-4-8-15(23)9-5-13/h1-11,20,26H,25H2,(H2,24,27)(H,28,29)/b10-3+
InChIKey ARBLJCXABNSVBN-XCVCLJGOSA-N
Mol Weight 425.32 g/mol
Molecular Formula C21H18Cl2N6
Exact Mass 424.097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ITOFo6uCaBK
Name 6,8-Diamino-2,3-dihydro-2-(4"-chlorophenyl)-4-(4'-chlorostyryl)-1H-pyrimido[4,5-b]-[1,4]diazepine
Alternate Name(s) 2-(4-Chlorophenyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-diamine 6-Amino-2-(4-chlorophenyl)-4-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dihydro-1H-pyrimido[4,5-b][1,4]diazepin-8-ylamine
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Formula C21H18Cl2N6
InChI InChI=1S/C21H18Cl2N6/c22-14-6-1-12(2-7-14)3-10-16-19-21(28-18(25)11-17(24)27-19)29-20(26-16)13-4-8-15(23)9-5-13/h1-11,20,26H,25H2,(H2,24,27)(H,28,29)/b10-3+
InChIKey ARBLJCXABNSVBN-XCVCLJGOSA-N
Molecular Weight 425.323 g/mol
SMILES NC1=CC(=NC=2C(=N1)NC(NC2\C=C\c1ccc(cc1)Cl)c1ccc(cc1)Cl)N
SPLASH splash10-00b9-0010900000-8d58542bccb4f27fc1b9
Source of Spectrum Y-36-936-3
Wiley ID 762495