N1-[(2R)-4-methylpentan-2-yl]-N4-phenyl-2-pyrimidin-2-ylsulfanyl-benzene-1,4-diamine

Systemtic Name: N1-[(2R)-4-methylpentan-2-yl]-N4-phenyl-2-pyrimidin-2-ylsulfanyl-benzene-1,4-diamine Openeye Name: N1-[(1R)-1,3-dimethylbutyl]-N4-phenyl-2-pyrimidin-2-ylsulfanyl-benzene-1,4-diamine CAS Name: N1-[(2R)-4-methylpentan-2-yl]-N4-phenyl-2-(2-pyrimidinylthio)benzene-1,4-diamine IUPAC Name: 1-N-[(2R)-4-methylpentan-2-yl]-4-N-phenyl-2-pyrimidin-2-ylsulfanylbenzene-1,4-diamine Traditional Name: [4-anilino-2-(2-pyrimidylthio)phenyl]-[(1R)-1,3-dimethylbutyl]amine Formula: C22H26N4S MolecularWeight: 378.53364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC=CC=N3

Isomeric SMILES

C[C@H](CC(C)C)NC1=C(C=C(C=C1)NC2=CC=CC=C2)SC3=NC=CC=N3

InChI

InChI=1S/C22H26N4S/c1-16(2)14-17(3)25-20-11-10-19(26-18-8-5-4-6-9-18)15-21(20)27-22-23-12-7-13-24-22/h4-13,15-17,25-26H,14H2,1-3H3/t17-/m1/s1