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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-fluoranyl-4-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-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-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C18H16FN5O3 MolecularWeight: 369.349743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)F

InChI

InChI=1S/C18H16FN5O3/c1-26-14-8-7-11(9-13(14)19)16(25)27-10-15-22-17(20)24-18(23-15)21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H3,20,21,22,23,24)