2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylhexanoic acid

Systemtic Name: 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylhexanoic acid Openeye Name: 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanylhexanoic acid CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]hexanoic acid IUPAC Name: 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylhexanoic acid Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]hexanoic acid Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCCCC(C(=O)O)SC1=NC(=CC(=N1)Cl)NC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C19H19ClN4O2S/c1-2-3-6-15(18(25)26)27-19-23-16(20)11-17(24-19)22-13-7-8-14-12(10-13)5-4-9-21-14/h4-5,7-11,15H,2-3,6H2,1H3,(H,25,26)(H,22,23,24)