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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(6-ethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(6-ethylbenzofuran-3-yl)acetate CAS Name: 2-(6-ethyl-3-benzofuranyl)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-(6-ethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-ethylbenzofuran-3-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H21N5O3/c1-2-14-8-9-17-15(12-29-18(17)10-14)11-20(28)30-13-19-25-21(23)27-22(26-19)24-16-6-4-3-5-7-16/h3-10,12H,2,11,13H2,1H3,(H3,23,24,25,26,27)