(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 9,10-bis(oxidanylidene)anthracene-1-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 9,10-dioxoanthracene-1-carboxylate CAS Name: 9,10-dioxo-1-anthracenecarboxylic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 9,10-dioxoanthracene-1-carboxylate Traditional Name: 9,10-diketoanthracene-1-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C25H17N5O4 MolecularWeight: 451.43358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17N5O4/c26-24-28-19(29-25(30-24)27-14-7-2-1-3-8-14)13-34-23(33)18-12-6-11-17-20(18)22(32)16-10-5-4-9-15(16)21(17)31/h1-12H,13H2,(H3,26,27,28,29,30)