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

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(2-oxidanylidenepyrrolidin-1-yl)benzoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)benzoate CAS Name: 3-(2-oxo-1-pyrrolidinyl)benzoic 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 3-(2-oxopyrrolidin-1-yl)benzoate Traditional Name: 3-(2-ketopyrrolidino)benzoic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=CC=C2)N3CCCC3=O

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C2=CC(=CC=C2)N3CCCC3=O

InChI

InChI=1S/C17H20N6O3/c1-22(2)17-20-13(19-16(18)21-17)10-26-15(25)11-5-3-6-12(9-11)23-8-4-7-14(23)24/h3,5-6,9H,4,7-8,10H2,1-2H3,(H2,18,19,20,21)