6-azanyl-2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2-chloro-3-quinolyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2-chloro-3-quinolinyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2-chloroquinolin-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2-chloro-3-quinolyl)methylthio]-1H-pyrimidin-4-one Formula: C14H11ClN4OS MolecularWeight: 318.78134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=N2)Cl)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C14H11ClN4OS/c15-13-9(5-8-3-1-2-4-10(8)17-13)7-21-14-18-11(16)6-12(20)19-14/h1-6H,7H2,(H3,16,18,19,20)