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

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

CC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

CC1=CC=C(C=C1)N2C[C@H](CC2=O)C(=O)OCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C22H22N6O3/c1-14-7-9-17(10-8-14)28-12-15(11-19(28)29)20(30)31-13-18-25-21(23)27-22(26-18)24-16-5-3-2-4-6-16/h2-10,15H,11-13H2,1H3,(H3,23,24,25,26,27)/t15-/m0/s1