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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-28-16-10-8-14(12-17(16)29-2)9-11-19(27)30-13-18-24-20(22)26-21(25-18)23-15-6-4-3-5-7-15/h3-8,10,12H,9,11,13H2,1-2H3,(H3,22,23,24,25,26)