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

Systemtic Name: 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoic acid Openeye Name: 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanyloctanoic acid CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]octanoic acid IUPAC Name: 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoic acid Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]caprylic acid Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S/c1-2-3-4-5-8-17(20(27)28)29-21-25-18(22)13-19(26-21)24-15-9-10-16-14(12-15)7-6-11-23-16/h6-7,9-13,17H,2-5,8H2,1H3,(H,27,28)(H,24,25,26)