[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-pyrrolidin-1-ylpyridine-3-carboxylate CAS Name: 2-(1-pyrrolidinyl)-3-pyridinecarboxylic 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 2-pyrrolidin-1-ylpyridine-3-carboxylate Traditional Name: 2-pyrrolidinonicotinic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N7O2/c1-22(2)16-20-12(19-15(17)21-16)10-25-14(24)11-6-5-7-18-13(11)23-8-3-4-9-23/h5-7H,3-4,8-10H2,1-2H3,(H2,17,19,20,21)