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

Systemtic Name: ethyl 2-[4-chloranyl-6-(quinolin-6-ylmethylamino)pyrimidin-2-yl]sulfanyloctanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolylmethylamino)pyrimidin-2-yl]sulfanyloctanoate CAS Name: 2-[[4-chloro-6-(6-quinolinylmethylamino)-2-pyrimidinyl]thio]octanoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylmethylamino)pyrimidin-2-yl]sulfanyloctanoate Traditional Name: 2-[[4-chloro-6-(6-quinolylmethylamino)pyrimidin-2-yl]thio]caprylic acid ethyl ester Formula: C24H29ClN4O2S MolecularWeight: 473.03066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NCC2=CC3=C(C=C2)N=CC=C3

Isomeric SMILES

CCCCCCC(C(=O)OCC)SC1=NC(=CC(=N1)Cl)NCC2=CC3=C(C=C2)N=CC=C3

InChI

InChI=1S/C24H29ClN4O2S/c1-3-5-6-7-10-20(23(30)31-4-2)32-24-28-21(25)15-22(29-24)27-16-17-11-12-19-18(14-17)9-8-13-26-19/h8-9,11-15,20H,3-7,10,16H2,1-2H3,(H,27,28,29)