2-[(5-chloranylquinolin-8-yl)methylsulfanyl]-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(5-chloranylquinolin-8-yl)methylsulfanyl]-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(5-chloro-8-quinolyl)methylsulfanyl]-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(5-chloro-8-quinolinyl)methylthio]-6-ethyl-3-(3-methoxypropyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(5-chloroquinolin-8-yl)methylsulfanyl]-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(5-chloro-8-quinolyl)methylthio]-6-ethyl-3-(3-methoxypropyl)thieno[2,3-d]pyrimidin-4-one Formula: C22H22ClN3O2S2 MolecularWeight: 460.01198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

Isomeric SMILES

CCC1=CC2=C(S1)N=C(N(C2=O)CCCOC)SCC3=C4C(=C(C=C3)Cl)C=CC=N4

InChI

InChI=1S/C22H22ClN3O2S2/c1-3-15-12-17-20(30-15)25-22(26(21(17)27)10-5-11-28-2)29-13-14-7-8-18(23)16-6-4-9-24-19(14)16/h4,6-9,12H,3,5,10-11,13H2,1-2H3