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

Systemtic Name: 4-(cyclopropylamino)-2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-4-(cyclopropylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Formula: C20H25N7O2 MolecularWeight: 395.4582

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)NC4CC4)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N

InChI

InChI=1S/C20H25N7O2/c1-13(28)26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-22-12-17(18(21)29)19(25-20)23-14-2-3-14/h4-7,12,14H,2-3,8-11H2,1H3,(H2,21,29)(H2,22,23,24,25)