5,7-bis(chloranyl)-2-oxidanyl-3-(3-pyrimidin-5-ylpropylsulfanyl)-1H-quinolin-4-one

Systemtic Name: 5,7-bis(chloranyl)-2-oxidanyl-3-(3-pyrimidin-5-ylpropylsulfanyl)-1H-quinolin-4-one Openeye Name: 5,7-dichloro-2-hydroxy-3-(3-pyrimidin-5-ylpropylsulfanyl)-1H-quinolin-4-one CAS Name: 5,7-dichloro-2-hydroxy-3-[3-(5-pyrimidinyl)propylthio]-1H-quinolin-4-one IUPAC Name: 5,7-dichloro-2-hydroxy-3-(3-pyrimidin-5-ylpropylsulfanyl)-1H-quinolin-4-one Traditional Name: 5,7-dichloro-2-hydroxy-3-[3-(5-pyrimidyl)propylthio]-4-quinolone Formula: C16H13Cl2N3O2S MolecularWeight: 382.26432

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1Cl)C(=O)C(=C(N2)O)SCCCC3=CN=CN=C3)Cl

Isomeric SMILES

C1=C(C=C2C(=C1Cl)C(=O)C(=C(N2)O)SCCCC3=CN=CN=C3)Cl

InChI

InChI=1S/C16H13Cl2N3O2S/c17-10-4-11(18)13-12(5-10)21-16(23)15(14(13)22)24-3-1-2-9-6-19-8-20-7-9/h4-8H,1-3H2,(H2,21,22,23)