[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(phenoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(phenoxymethyl)-2-benzofurancarboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-(phenoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(phenoxymethyl)coumarilic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=C(OC3=CC=CC=C32)C(=O)OCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C20H17N5O4/c21-19-23-16(24-20(22)25-19)11-28-18(26)17-14(10-27-12-6-2-1-3-7-12)13-8-4-5-9-15(13)29-17/h1-9H,10-11H2,(H4,21,22,23,24,25)