[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate

Systemtic Name: [4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (4,6-diamino-1,3,5-triazin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic 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-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (4,6-diamino-s-triazin-2-yl)methyl ester Formula: C14H16BrN5O4 MolecularWeight: 398.21194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)N)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)N)N)OC

InChI

InChI=1S/C14H16BrN5O4/c1-3-23-11-8(15)4-7(5-9(11)22-2)12(21)24-6-10-18-13(16)20-14(17)19-10/h4-5H,3,6H2,1-2H3,(H4,16,17,18,19,20)