(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 5-(phenoxymethyl)furan-2-carboxylate CAS Name: 5-(phenoxymethyl)-2-furancarboxylic 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 5-(phenoxymethyl)furan-2-carboxylate Traditional Name: 5-(phenoxymethyl)furan-2-carboxylic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=C(O3)COC4=CC=CC=C4

InChI

InChI=1S/C22H19N5O4/c23-21-25-19(26-22(27-21)24-15-7-3-1-4-8-15)14-30-20(28)18-12-11-17(31-18)13-29-16-9-5-2-6-10-16/h1-12H,13-14H2,(H3,23,24,25,26,27)