methyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate hydrochloride

Systemtic Name: methyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate hydrochloride Openeye Name: methyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate hydrochloride CAS Name: 4-[[4,6-bis(1-pyrrolidinyl)-1,3,5-triazin-2-yl]amino]benzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate hydrochloride Traditional Name: 4-[(4,6-dipyrrolidino-s-triazin-2-yl)amino]benzoic acid methyl ester hydrochloride Formula: C19H25ClN6O2 MolecularWeight: 404.8938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4.Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)N3CCCC3)N4CCCC4.Cl

InChI

InChI=1S/C19H24N6O2.ClH/c1-27-16(26)14-6-8-15(9-7-14)20-17-21-18(24-10-2-3-11-24)23-19(22-17)25-12-4-5-13-25;/h6-9H,2-5,10-13H2,1H3,(H,20,21,22,23);1H