[4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl (3S)-1-cyclopentyl-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (3S)-1-cyclopentyl-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-cyclopentyl-5-oxo-3-pyrrolidinecarboxylic acid [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-cyclopentyl-5-keto-pyrrolidine-3-carboxylic acid [4-amino-6-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C21H26N6O3 MolecularWeight: 410.46954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)C3CC(=O)N(C3)C4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)COC(=O)[C@H]3CC(=O)N(C3)C4CCCC4

InChI

InChI=1S/C21H26N6O3/c1-13-6-8-15(9-7-13)23-21-25-17(24-20(22)26-21)12-30-19(29)14-10-18(28)27(11-14)16-4-2-3-5-16/h6-9,14,16H,2-5,10-12H2,1H3,(H3,22,23,24,25,26)/t14-/m0/s1