N-butyl-4-[[5-chloranyl-4-(cyclobutylamino)pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: N-butyl-4-[[5-chloranyl-4-(cyclobutylamino)pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: N-butyl-4-[[5-chloro-4-(cyclobutylamino)pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: N-butyl-4-[[5-chloro-4-(cyclobutylamino)-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N-butyl-4-[[5-chloro-4-(cyclobutylamino)pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: N-butyl-4-[[5-chloro-4-(cyclobutylamino)pyrimidin-2-yl]amino]benzenesulfonamide Formula: C18H24ClN5O2S MolecularWeight: 409.93346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CCC3)Cl

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3CCC3)Cl

InChI

InChI=1S/C18H24ClN5O2S/c1-2-3-11-21-27(25,26)15-9-7-14(8-10-15)23-18-20-12-16(19)17(24-18)22-13-5-4-6-13/h7-10,12-13,21H,2-6,11H2,1H3,(H2,20,22,23,24)