(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,3,4-trimethoxybenzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2,3,4-trimethoxybenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic 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 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O5 MolecularWeight: 411.41124

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O5/c1-27-14-10-9-13(16(28-2)17(14)29-3)18(26)30-11-15-23-19(21)25-20(24-15)22-12-7-5-4-6-8-12/h4-10H,11H2,1-3H3,(H3,21,22,23,24,25)