ethyl 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoate

Systemtic Name: ethyl 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanyloctanoate CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanyloctanoate Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]caprylic acid ethyl ester Formula: C23H27ClN4O2S MolecularWeight: 459.00408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN4O2S/c1-3-5-6-7-10-19(22(29)30-4-2)31-23-27-20(24)15-21(28-23)26-17-11-12-18-16(14-17)9-8-13-25-18/h8-9,11-15,19H,3-7,10H2,1-2H3,(H,26,27,28)