2-[[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl-methyl-amino]methyl]-1H-quinazolin-4-one CAS Name: 2-[[[2-chloro-7-(methylthio)-3-quinolinyl]methyl-methylamino]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl-methylamino]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[[2-chloro-7-(methylthio)-3-quinolyl]methyl-methyl-amino]methyl]-1H-quinazolin-4-one Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CN(CC1=C(N=C2C=C(C=CC2=C1)SC)Cl)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H19ClN4OS/c1-26(12-19-23-17-6-4-3-5-16(17)21(27)25-19)11-14-9-13-7-8-15(28-2)10-18(13)24-20(14)22/h3-10H,11-12H2,1-2H3,(H,23,25,27)