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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-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-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

COCC1=C(OC2=CC=CC=C21)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5O4/c1-28-11-15-14-9-5-6-10-16(14)30-18(15)19(27)29-12-17-24-20(22)26-21(25-17)23-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H3,22,23,24,25,26)