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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-(2-oxo-1-pyrrolidinyl)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 4-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-(2-ketopyrrolidino)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H20N6O3/c22-20-24-17(25-21(26-20)23-15-5-2-1-3-6-15)13-30-19(29)14-8-10-16(11-9-14)27-12-4-7-18(27)28/h1-3,5-6,8-11H,4,7,12-13H2,(H3,22,23,24,25,26)