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

Systemtic Name: ethyl 4-[(4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-yl)amino]benzoate hydrochloride Openeye Name: ethyl 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 ethyl ester hydrochloride IUPAC Name: ethyl 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 ethyl ester hydrochloride Formula: C20H27ClN6O2 MolecularWeight: 418.92038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N6O2.ClH/c1-2-28-17(27)15-7-9-16(10-8-15)21-18-22-19(25-11-3-4-12-25)24-20(23-18)26-13-5-6-14-26;/h7-10H,2-6,11-14H2,1H3,(H,21,22,23,24);1H