1-azanyl-4-[[4-[[4-azanyl-3-ethanoyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-2-ethanoyl-anthracene-9,10-dione

Systemtic Name: 1-azanyl-4-[[4-[[4-azanyl-3-ethanoyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-2-ethanoyl-anthracene-9,10-dione Openeye Name: 2-acetyl-4-[[4-[(3-acetyl-4-amino-9,10-dioxo-1-anthryl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-1-amino-anthracene-9,10-dione CAS Name: 2-acetyl-4-[[4-[(3-acetyl-4-amino-9,10-dioxo-1-anthracenyl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-1-aminoanthracene-9,10-dione IUPAC Name: 2-acetyl-4-[[4-[(3-acetyl-4-amino-9,10-dioxoanthracen-1-yl)amino]-6-phenyl-1,3,5-triazin-2-yl]amino]-1-aminoanthracene-9,10-dione Traditional Name: 2-acetyl-4-[[4-[(3-acetyl-4-amino-9,10-diketo-1-anthryl)amino]-6-phenyl-s-triazin-2-yl]amino]-1-amino-9,10-anthraquinone Formula: C41H27N7O6 MolecularWeight: 713.69638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=NC(=NC(=N4)C5=CC=CC=C5)NC6=C7C(=C(C(=C6)C(=O)C)N)C(=O)C8=CC=CC=C8C7=O

Isomeric SMILES

CC(=O)C1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)NC4=NC(=NC(=N4)C5=CC=CC=C5)NC6=C7C(=C(C(=C6)C(=O)C)N)C(=O)C8=CC=CC=C8C7=O

InChI

InChI=1S/C41H27N7O6/c1-18(49)25-16-27(29-31(33(25)42)37(53)23-14-8-6-12-21(23)35(29)51)44-40-46-39(20-10-4-3-5-11-20)47-41(48-40)45-28-17-26(19(2)50)34(43)32-30(28)36(52)22-13-7-9-15-24(22)38(32)54/h3-17H,42-43H2,1-2H3,(H2,44,45,46,47,48)