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

Systemtic Name: ethyl 2-[4-chloranyl-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: ethyl 2-[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 2-[[4-chloro-6-(6-quinolinylamino)-2-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4-chloro-6-(quinolin-6-ylamino)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 2-[[4-chloro-6-(6-quinolylamino)pyrimidin-2-yl]thio]propionic acid ethyl ester Formula: C18H17ClN4O2S MolecularWeight: 388.87118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O2S/c1-3-25-17(24)11(2)26-18-22-15(19)10-16(23-18)21-13-6-7-14-12(9-13)5-4-8-20-14/h4-11H,3H2,1-2H3,(H,21,22,23)