4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[[3-fluoranyl-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrimidine-5-carboxamide

Systemtic Name: 4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[[3-fluoranyl-2-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 4-[2-(cyclopentoxy)phenoxy]-N-(2,6-dimethylphenyl)-2-[3-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidine-5-carboxamide CAS Name: 4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[3-fluoro-2-[3-(4-methyl-1-piperazinyl)propoxy]anilino]-5-pyrimidinecarboxamide IUPAC Name: 4-(2-cyclopentyloxyphenoxy)-N-(2,6-dimethylphenyl)-2-[3-fluoro-2-[3-(4-methylpiperazin-1-yl)propoxy]anilino]pyrimidine-5-carboxamide Traditional Name: 4-[2-(cyclopentoxy)phenoxy]-N-(2,6-dimethylphenyl)-2-[3-fluoro-2-[3-(4-methylpiperazino)propoxy]anilino]pyrimidine-5-carboxamide Formula: C38H45FN6O4 MolecularWeight: 668.800103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C2=CN=C(N=C2OC3=CC=CC=C3OC4CCCC4)NC5=C(C(=CC=C5)F)OCCCN6CCN(CC6)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)C2=CN=C(N=C2OC3=CC=CC=C3OC4CCCC4)NC5=C(C(=CC=C5)F)OCCCN6CCN(CC6)C

InChI

InChI=1S/C38H45FN6O4/c1-26-11-8-12-27(2)34(26)42-36(46)29-25-40-38(43-37(29)49-33-18-7-6-17-32(33)48-28-13-4-5-14-28)41-31-16-9-15-30(39)35(31)47-24-10-19-45-22-20-44(3)21-23-45/h6-9,11-12,15-18,25,28H,4-5,10,13-14,19-24H2,1-3H3,(H,42,46)(H,40,41,43)