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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(4-propanoylphenoxy)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-propanoylphenoxy)acetate CAS Name: 2-[4-(1-oxopropyl)phenoxy]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-(4-propanoylphenoxy)acetate Traditional Name: 2-(4-propionylphenoxy)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-2-17(27)14-8-10-16(11-9-14)29-13-19(28)30-12-18-24-20(22)26-21(25-18)23-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H3,22,23,24,25,26)