(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 2-(furan-2-ylmethylamino)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic 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-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3=CC=CC=C3NCC4=CC=CO4

InChI

InChI=1S/C22H20N6O3/c23-21-26-19(27-22(28-21)25-15-7-2-1-3-8-15)14-31-20(29)17-10-4-5-11-18(17)24-13-16-9-6-12-30-16/h1-12,24H,13-14H2,(H3,23,25,26,27,28)