2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-[(3-methoxyphenyl)amino]pyrimidine-5-carboxamide

Systemtic Name: 2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-[(3-methoxyphenyl)amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(3-methoxyanilino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-4-(3-methoxyanilino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(3-methoxyanilino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-4-(m-anisidino)pyrimidine-5-carboxamide Formula: C24H27N7O3 MolecularWeight: 461.51628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)OC)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)OC)C(=O)N

InChI

InChI=1S/C24H27N7O3/c1-16(32)30-10-12-31(13-11-30)19-8-6-17(7-9-19)28-24-26-15-21(22(25)33)23(29-24)27-18-4-3-5-20(14-18)34-2/h3-9,14-15H,10-13H2,1-2H3,(H2,25,33)(H2,26,27,28,29)