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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxy-benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxy-benzoate CAS Name: 4-ethoxy-3-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 4-ethoxy-3-methoxybenzoate Traditional Name: 4-ethoxy-3-methoxy-benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O4 MolecularWeight: 395.41184

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-3-28-15-10-9-13(11-16(15)27-2)18(26)29-12-17-23-19(21)25-20(24-17)22-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H3,21,22,23,24,25)