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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(6-methyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(6-methylbenzofuran-3-yl)acetate CAS Name: 2-(6-methyl-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-methyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methylbenzofuran-3-yl)acetic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H19N5O3/c1-13-7-8-16-14(11-28-17(16)9-13)10-19(27)29-12-18-24-20(22)26-21(25-18)23-15-5-3-2-4-6-15/h2-9,11H,10,12H2,1H3,(H3,22,23,24,25,26)