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

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 5-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 5-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 5-chloro-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-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-chloro-3-methyl-coumarilic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H12ClN5O3 MolecularWeight: 333.72978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H12ClN5O3/c1-6-8-4-7(15)2-3-9(8)23-11(6)12(21)22-5-10-18-13(16)20-14(17)19-10/h2-4H,5H2,1H3,(H4,16,17,18,19,20)