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

Systemtic Name: 4-[(4-azanylcyclohexyl)amino]-2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-aminocyclohexyl)amino]pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-4-[(4-aminocyclohexyl)amino]-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(4-aminocyclohexyl)amino]pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-4-[(4-aminocyclohexyl)amino]pyrimidine-5-carboxamide Formula: C23H32N8O2 MolecularWeight: 452.55258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCC(CC4)N)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCC(CC4)N)C(=O)N

InChI

InChI=1S/C23H32N8O2/c1-15(32)30-10-12-31(13-11-30)19-8-6-18(7-9-19)28-23-26-14-20(21(25)33)22(29-23)27-17-4-2-16(24)3-5-17/h6-9,14,16-17H,2-5,10-13,24H2,1H3,(H2,25,33)(H2,26,27,28,29)