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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)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-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)OCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O5/c1-28-15-9-13(10-16(29-2)19(15)30-3)11-18(27)31-12-17-24-20(22)26-21(25-17)23-14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3,(H3,22,23,24,25,26)