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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic 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 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C20H17N5O3/c1-12-14-9-5-6-10-15(14)28-17(12)18(26)27-11-16-23-19(21)25-20(24-16)22-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H3,21,22,23,24,25)