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

Systemtic Name: 4-(2-cyanoethylamino)-2-[[3-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(2-cyanoethylamino)pyrimidine-5-carboxamide CAS Name: 2-[3-(4-acetyl-1-piperazinyl)anilino]-4-(2-cyanoethylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[3-(4-acetylpiperazin-1-yl)anilino]-4-(2-cyanoethylamino)pyrimidine-5-carboxamide Traditional Name: 2-[3-(4-acetylpiperazino)anilino]-4-(2-cyanoethylamino)pyrimidine-5-carboxamide Formula: C20H24N8O2 MolecularWeight: 408.45696

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)NCCC#N)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C20H24N8O2/c1-14(29)27-8-10-28(11-9-27)16-5-2-4-15(12-16)25-20-24-13-17(18(22)30)19(26-20)23-7-3-6-21/h2,4-5,12-13H,3,7-11H2,1H3,(H2,22,30)(H2,23,24,25,26)