4-[5-[2-(cyclohexylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzoic acid

Systemtic Name: 4-[5-[2-(cyclohexylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzoic acid Openeye Name: 4-[5-[2-(cyclohexylamino)pyrimidin-4-yl]thiazol-2-yl]benzoic acid CAS Name: 4-[5-[2-(cyclohexylamino)-4-pyrimidinyl]-2-thiazolyl]benzoic acid IUPAC Name: 4-[5-[2-(cyclohexylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzoic acid Traditional Name: 4-[5-[2-(cyclohexylamino)pyrimidin-4-yl]thiazol-2-yl]benzoic acid Formula: C20H20N4O2S MolecularWeight: 380.4634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC=CC(=N2)C3=CN=C(S3)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)NC2=NC=CC(=N2)C3=CN=C(S3)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H20N4O2S/c25-19(26)14-8-6-13(7-9-14)18-22-12-17(27-18)16-10-11-21-20(24-16)23-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,25,26)(H,21,23,24)