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

Systemtic Name: 4-(tert-butylamino)-2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(tert-butylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)anilino]-4-(tert-butylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(tert-butylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-(4-acetylpiperazino)anilino]-4-(tert-butylamino)pyrimidine-5-carboxamide Formula: C21H29N7O2 MolecularWeight: 411.50066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N7O2/c1-14(29)27-8-10-28(11-9-27)16-7-5-6-15(12-16)24-20-23-13-17(18(22)30)19(25-20)26-21(2,3)4/h5-7,12-13H,8-11H2,1-4H3,(H2,22,30)(H2,23,24,25,26)