[4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 9H-xanthene-9-carboxylate

Systemtic Name: [4-azanyl-6-[(2-methoxyphenyl)amino]-1,3,5-triazin-2-yl]methyl 9H-xanthene-9-carboxylate Openeye Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [4-amino-6-(o-anisidino)-s-triazin-2-yl]methyl ester Formula: C25H21N5O4 MolecularWeight: 455.46534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

COC1=CC=CC=C1NC2=NC(=NC(=N2)N)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H21N5O4/c1-32-20-13-7-4-10-17(20)27-25-29-21(28-24(26)30-25)14-33-23(31)22-15-8-2-5-11-18(15)34-19-12-6-3-9-16(19)22/h2-13,22H,14H2,1H3,(H3,26,27,28,29,30)