N-(3-imidazol-1-ylpropyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-2-methylsulfanyl-6-phenyl-pyrimidin-4-amine CAS Name: N-[3-(1-imidazolyl)propyl]-2-(methylthio)-6-phenyl-4-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-2-methylsulfanyl-6-phenylpyrimidin-4-amine Traditional Name: 3-imidazol-1-ylpropyl-[2-(methylthio)-6-phenyl-pyrimidin-4-yl]amine Formula: C17H19N5S MolecularWeight: 325.43126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC(=N1)NCCCN2C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC(=N1)NCCCN2C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H19N5S/c1-23-17-20-15(14-6-3-2-4-7-14)12-16(21-17)19-8-5-10-22-11-9-18-13-22/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,19,20,21)