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

Systemtic Name: 2-[[3-chloranyl-4-(4-ethanoylpiperazin-1-yl)phenyl]amino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-3-chloro-anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-3-chloroanilino]-4-(cyclopropylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-3-chloroanilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetylpiperazino)-3-chloro-anilino]-4-(cyclopropylamino)pyrimidine-5-carboxamide Formula: C20H24ClN7O2 MolecularWeight: 429.90326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN7O2/c1-12(29)27-6-8-28(9-7-27)17-5-4-14(10-16(17)21)25-20-23-11-15(18(22)30)19(26-20)24-13-2-3-13/h4-5,10-11,13H,2-3,6-9H2,1H3,(H2,22,30)(H2,23,24,25,26)