2-[4-[(5-cyano-4-thiophen-2-yl-pyrimidin-2-yl)amino]phenoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(5-cyano-4-thiophen-2-yl-pyrimidin-2-yl)amino]phenoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-[[5-cyano-4-(2-thienyl)pyrimidin-2-yl]amino]phenoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-[(5-cyano-4-thiophen-2-yl-2-pyrimidinyl)amino]phenoxy]ethyl ester IUPAC Name: 2-[4-[(5-cyano-4-thiophen-2-ylpyrimidin-2-yl)amino]phenoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-[[5-cyano-4-(2-thienyl)pyrimidin-2-yl]amino]phenoxy]ethyl ester Formula: C24H20N4O4S2 MolecularWeight: 492.57

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)C4=CC=CS4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)C4=CC=CS4)C#N

InChI

InChI=1S/C24H20N4O4S2/c1-17-4-10-21(11-5-17)34(29,30)32-13-12-31-20-8-6-19(7-9-20)27-24-26-16-18(15-25)23(28-24)22-3-2-14-33-22/h2-11,14,16H,12-13H2,1H3,(H,26,27,28)