1-azanyl-2-bromanyl-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione

Systemtic Name: 1-azanyl-2-bromanyl-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione Openeye Name: 1-amino-2-bromo-4-[[4-(isopropylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione CAS Name: 1-amino-2-bromo-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione IUPAC Name: 1-amino-2-bromo-4-[[4-phenyl-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]anthracene-9,10-dione Traditional Name: 1-amino-2-bromo-4-[[4-(isopropylamino)-6-phenyl-s-triazin-2-yl]amino]-9,10-anthraquinone Formula: C26H21BrN6O2 MolecularWeight: 529.38794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=NC(=N1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)C5=CC=CC=C5

Isomeric SMILES

CC(C)NC1=NC(=NC(=N1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br)C5=CC=CC=C5

InChI

InChI=1S/C26H21BrN6O2/c1-13(2)29-25-31-24(14-8-4-3-5-9-14)32-26(33-25)30-18-12-17(27)21(28)20-19(18)22(34)15-10-6-7-11-16(15)23(20)35/h3-13H,28H2,1-2H3,(H2,29,30,31,32,33)