(4-methylpiperazin-1-yl)-[3-[5-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[3-[5-[5-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[3-[5-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]-2-thienyl]phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[3-[5-[5-methyl-2-[4-[2-(1-pyrrolidinyl)ethoxy]anilino]-4-pyrimidinyl]-2-thiophenyl]phenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[3-[5-[5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]pyrimidin-4-yl]thiophen-2-yl]phenyl]methanone Traditional Name: (4-methylpiperazino)-[3-[5-[5-methyl-2-[4-(2-pyrrolidinoethoxy)anilino]pyrimidin-4-yl]-2-thienyl]phenyl]methanone Formula: C33H38N6O2S MolecularWeight: 582.75882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C)NC5=CC=C(C=C5)OCCN6CCCC6

Isomeric SMILES

CC1=CN=C(N=C1C2=CC=C(S2)C3=CC(=CC=C3)C(=O)N4CCN(CC4)C)NC5=CC=C(C=C5)OCCN6CCCC6

InChI

InChI=1S/C33H38N6O2S/c1-24-23-34-33(35-27-8-10-28(11-9-27)41-21-20-38-14-3-4-15-38)36-31(24)30-13-12-29(42-30)25-6-5-7-26(22-25)32(40)39-18-16-37(2)17-19-39/h5-13,22-23H,3-4,14-21H2,1-2H3,(H,34,35,36)