(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate

Systemtic Name: (4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methyl (3S)-5-oxidanylidene-1-(phenylmethyl)pyrrolidine-3-carboxylate Openeye Name: (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (3S)-1-benzyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-5-oxo-1-(phenylmethyl)-3-pyrrolidinecarboxylic 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 (3S)-1-benzyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-benzyl-5-keto-pyrrolidine-3-carboxylic 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:

C1C(CN(C1=O)CC2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C1[C@@H](CN(C1=O)CC2=CC=CC=C2)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6O3/c23-21-25-18(26-22(27-21)24-17-9-5-2-6-10-17)14-31-20(30)16-11-19(29)28(13-16)12-15-7-3-1-4-8-15/h1-10,16H,11-14H2,(H3,23,24,25,26,27)/t16-/m0/s1