3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

Systemtic Name: 3-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one Openeye Name: 3-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]benzofuro[3,2-d]pyrimidin-4-one CAS Name: 3-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-4-benzofuro[3,2-d]pyrimidinone IUPAC Name: 3-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]-[1]benzofuro[3,2-d]pyrimidin-4-one Traditional Name: 3-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]benzofuro[3,2-d]pyrimidin-4-one Formula: C21H14ClN3O2S MolecularWeight: 407.87276

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)OC5=CC=CC=C54)Cl

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)CN3C=NC4=C(C3=O)OC5=CC=CC=C54)Cl

InChI

InChI=1S/C21H14ClN3O2S/c1-28-14-7-6-12-8-13(20(22)24-16(12)9-14)10-25-11-23-18-15-4-2-3-5-17(15)27-19(18)21(25)26/h2-9,11H,10H2,1H3