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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-phenoxybutanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic 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-phenoxybutanoate Traditional Name: 4-phenoxybutyric 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:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)CCCOC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O3/c21-19-23-17(24-20(25-19)22-15-8-3-1-4-9-15)14-28-18(26)12-7-13-27-16-10-5-2-6-11-16/h1-6,8-11H,7,12-14H2,(H3,21,22,23,24,25)