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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S/c1-3-5-8-17(20(27)28-4-2)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,3-5,8H2,1-2H3,(H,24,25,26)