N3-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]benzene-1,3-diamine

Systemtic Name: N3-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]benzene-1,3-diamine Openeye Name: N3-[4-(5-methyl-3-methylsulfanyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]benzene-1,3-diamine CAS Name: N3-[4-[5-methyl-3-(methylthio)-1-phenyl-4-pyrazolyl]-2-pyrimidinyl]benzene-1,3-diamine IUPAC Name: 3-N-[4-(5-methyl-3-methylsulfanyl-1-phenylpyrazol-4-yl)pyrimidin-2-yl]benzene-1,3-diamine Traditional Name: (3-aminophenyl)-[4-[5-methyl-3-(methylthio)-1-phenyl-pyrazol-4-yl]pyrimidin-2-yl]amine Formula: C21H20N6S MolecularWeight: 388.4887

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)SC)C3=NC(=NC=C3)NC4=CC=CC(=C4)N

InChI

InChI=1S/C21H20N6S/c1-14-19(20(28-2)26-27(14)17-9-4-3-5-10-17)18-11-12-23-21(25-18)24-16-8-6-7-15(22)13-16/h3-13H,22H2,1-2H3,(H,23,24,25)