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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3,4-diethoxybenzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3,4-diethoxybenzoate CAS Name: 3,4-diethoxybenzoic 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 3,4-diethoxybenzoate Traditional Name: 3,4-diethoxybenzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N)OCC

InChI

InChI=1S/C21H23N5O4/c1-3-28-16-11-10-14(12-17(16)29-4-2)19(27)30-13-18-24-20(22)26-21(25-18)23-15-8-6-5-7-9-15/h5-12H,3-4,13H2,1-2H3,(H3,22,23,24,25,26)