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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(5-ethanoyl-2-methoxy-phenyl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(5-acetyl-2-methoxy-phenyl)acetate CAS Name: 2-(5-acetyl-2-methoxyphenyl)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-(5-acetyl-2-methoxyphenyl)acetate Traditional Name: 2-(5-acetyl-2-methoxy-phenyl)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:

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

Isomeric SMILES

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

InChI

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