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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)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-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C20H21N5O3 MolecularWeight: 379.41244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O3/c1-27-16-10-7-14(8-11-16)9-12-18(26)28-13-17-23-19(21)25-20(24-17)22-15-5-3-2-4-6-15/h2-8,10-11H,9,12-13H2,1H3,(H3,21,22,23,24,25)