[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 6-bromanyl-2H-chromene-3-carboxylate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 6-bromanyl-2H-chromene-3-carboxylate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 6-bromo-2H-chromene-3-carboxylate CAS Name: 6-bromo-2H-1-benzopyran-3-carboxylic acid (4,6-diamino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 6-bromo-2H-chromene-3-carboxylate Traditional Name: 6-bromo-2H-chromene-3-carboxylic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H12BrN5O3 MolecularWeight: 378.18078

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)OCC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1C(=CC2=C(O1)C=CC(=C2)Br)C(=O)OCC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C14H12BrN5O3/c15-9-1-2-10-7(4-9)3-8(5-22-10)12(21)23-6-11-18-13(16)20-14(17)19-11/h1-4H,5-6H2,(H4,16,17,18,19,20)