[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-butylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-butylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: 1-(4-butylphenyl)-5-oxo-3-pyrrolidinecarboxylic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-(4-butylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: 1-(4-butylphenyl)-5-keto-pyrrolidine-3-carboxylic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C21H28N6O3 MolecularWeight: 412.48542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2CC(CC2=O)C(=O)OCC3=NC(=NC(=N3)N(C)C)N

InChI

InChI=1S/C21H28N6O3/c1-4-5-6-14-7-9-16(10-8-14)27-12-15(11-18(27)28)19(29)30-13-17-23-20(22)25-21(24-17)26(2)3/h7-10,15H,4-6,11-13H2,1-3H3,(H2,22,23,24,25)