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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic 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-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O4/c1-27-15-9-8-13(10-16(15)28-2)11-18(26)29-12-17-23-19(21)25-20(24-17)22-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H3,21,22,23,24,25)