2-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[(2-chloranyl-7-methyl-quinolin-3-yl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 2-[(2-chloro-7-methyl-3-quinolinyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[(2-chloro-7-methylquinolin-3-yl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 2-[(2-chloro-7-methyl-3-quinolyl)methylthio]-6-methyl-pyrimidin-4-olate Formula: C16H13ClN3OS- MolecularWeight: 330.81192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NC(=CC(=N3)[O-])C)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NC(=CC(=N3)[O-])C)Cl

InChI

InChI=1S/C16H14ClN3OS/c1-9-3-4-11-7-12(15(17)19-13(11)5-9)8-22-16-18-10(2)6-14(21)20-16/h3-7H,8H2,1-2H3,(H,18,20,21)/p-1