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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-chloro-3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 4-chloro-3-(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-chloro-3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 4-chloro-3-(2-ketopyrrolidino)benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C21H19ClN6O3 MolecularWeight: 438.86696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN6O3/c22-15-9-8-13(11-16(15)28-10-4-7-18(28)29)19(30)31-12-17-25-20(23)27-21(26-17)24-14-5-2-1-3-6-14/h1-3,5-6,8-9,11H,4,7,10,12H2,(H3,23,24,25,26,27)