6-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(2-chloranylquinolin-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-chloro-3-quinolyl)methylsulfanyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[(2-chloro-3-quinolinyl)methylthio]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(2-chloroquinolin-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(2-chloro-3-quinolyl)methylthio]-s-triazin-2-yl]amine Formula: C13H11ClN6S MolecularWeight: 318.78464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClN6S/c14-10-8(5-7-3-1-2-4-9(7)17-10)6-21-13-19-11(15)18-12(16)20-13/h1-5H,6H2,(H4,15,16,18,19,20)