(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-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-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-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:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N)C

InChI

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