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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-bromanyl-4-ethoxy-5-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxy-benzoate CAS Name: 3-bromo-4-ethoxy-5-methoxybenzoic acid (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl ester IUPAC Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-bromo-4-ethoxy-5-methoxybenzoate Traditional Name: 3-bromo-4-ethoxy-5-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H20BrN5O4 MolecularWeight: 474.3079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC

InChI

InChI=1S/C20H20BrN5O4/c1-3-29-17-14(21)9-12(10-15(17)28-2)18(27)30-11-16-24-19(22)26-20(25-16)23-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H3,22,23,24,25,26)