N',N'-diethyl-N-[6-iodanyl-2-(trichloromethyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride

Systemtic Name: N',N'-diethyl-N-[6-iodanyl-2-(trichloromethyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride Openeye Name: N',N'-diethyl-N-[6-iodo-2-(trichloromethyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride CAS Name: N',N'-diethyl-N-[6-iodo-2-(trichloromethyl)-4-quinazolinyl]propane-1,3-diamine hydrochloride IUPAC Name: N',N'-diethyl-N-[6-iodo-2-(trichloromethyl)quinazolin-4-yl]propane-1,3-diamine hydrochloride Traditional Name: diethyl-[3-[[6-iodo-2-(trichloromethyl)quinazolin-4-yl]amino]propyl]amine hydrochloride Formula: C16H21Cl4IN4 MolecularWeight: 538.08121

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCNC1=NC(=NC2=C1C=C(C=C2)I)C(Cl)(Cl)Cl.Cl

Isomeric SMILES

CCN(CC)CCCNC1=NC(=NC2=C1C=C(C=C2)I)C(Cl)(Cl)Cl.Cl

InChI

InChI=1S/C16H20Cl3IN4.ClH/c1-3-24(4-2)9-5-8-21-14-12-10-11(20)6-7-13(12)22-15(23-14)16(17,18)19;/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,22,23);1H