2-[3-[[6-iodanyl-2-(trichloromethyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[6-iodanyl-2-(trichloromethyl)quinazolin-4-yl]amino]piperidin-1-yl]ethanoic acid Openeye Name: 2-[3-[[6-iodo-2-(trichloromethyl)quinazolin-4-yl]amino]-1-piperidyl]acetic acid CAS Name: 2-[3-[[6-iodo-2-(trichloromethyl)-4-quinazolinyl]amino]-1-piperidinyl]acetic acid IUPAC Name: 2-[3-[[6-iodo-2-(trichloromethyl)quinazolin-4-yl]amino]piperidin-1-yl]acetic acid Traditional Name: 2-[3-[[6-iodo-2-(trichloromethyl)quinazolin-4-yl]amino]piperidino]acetic acid Formula: C16H16Cl3IN4O2 MolecularWeight: 529.58731

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)O)NC2=NC(=NC3=C2C=C(C=C3)I)C(Cl)(Cl)Cl

Isomeric SMILES

C1CC(CN(C1)CC(=O)O)NC2=NC(=NC3=C2C=C(C=C3)I)C(Cl)(Cl)Cl

InChI

InChI=1S/C16H16Cl3IN4O2/c17-16(18,19)15-22-12-4-3-9(20)6-11(12)14(23-15)21-10-2-1-5-24(7-10)8-13(25)26/h3-4,6,10H,1-2,5,7-8H2,(H,25,26)(H,21,22,23)