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

Systemtic Name: 6-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(5-phenylisoxazol-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[(5-phenyl-3-isoxazolyl)methylthio]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[(5-phenylisoxazol-3-yl)methylthio]-s-triazin-2-yl]amine Formula: C13H12N6OS MolecularWeight: 300.33898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC(=NC(=N3)N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NO2)CSC3=NC(=NC(=N3)N)N

InChI

InChI=1S/C13H12N6OS/c14-11-16-12(15)18-13(17-11)21-7-9-6-10(20-19-9)8-4-2-1-3-5-8/h1-6H,7H2,(H4,14,15,16,17,18)