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

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl 4-[(2-oxidanylidenepyrrolidin-1-yl)methyl]benzoate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-[(2-oxopyrrolidin-1-yl)methyl]benzoate CAS Name: 4-[(2-oxo-1-pyrrolidinyl)methyl]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)methyl]benzoate Traditional Name: 4-[(2-ketopyrrolidino)methyl]benzoic acid (4-amino-6-anilino-s-triazin-2-yl)methyl ester Formula: C22H22N6O3 MolecularWeight: 418.44848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1CC(=O)N(C1)CC2=CC=C(C=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6O3/c23-21-25-18(26-22(27-21)24-17-5-2-1-3-6-17)14-31-20(30)16-10-8-15(9-11-16)13-28-12-4-7-19(28)29/h1-3,5-6,8-11H,4,7,12-14H2,(H3,23,24,25,26,27)