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

Systemtic Name: 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylpropanoic acid Openeye Name: 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanylpropanoic acid CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]propanoic acid IUPAC Name: 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylpropanoic acid Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]propionic acid Formula: C16H13ClN4O2S MolecularWeight: 360.81802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2S/c1-9(15(22)23)24-16-20-13(17)8-14(21-16)19-11-4-5-12-10(7-11)3-2-6-18-12/h2-9H,1H3,(H,22,23)(H,19,20,21)