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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-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 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C16H17N5O4/c1-3-23-9-4-5-11-10(6-9)8(2)13(25-11)14(22)24-7-12-19-15(17)21-16(18)20-12/h4-6H,3,7H2,1-2H3,(H4,17,18,19,20,21)