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

Systemtic Name: 4-(cyclopentylamino)-2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]amino]pyrimidine-5-carboxamide Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopentylamino)pyrimidine-5-carboxamide CAS Name: 2-[4-(4-acetyl-1-piperazinyl)anilino]-4-(cyclopentylamino)-5-pyrimidinecarboxamide IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)anilino]-4-(cyclopentylamino)pyrimidine-5-carboxamide Traditional Name: 2-[4-(4-acetylpiperazino)anilino]-4-(cyclopentylamino)pyrimidine-5-carboxamide Formula: C22H29N7O2 MolecularWeight: 423.51136

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCCC4)C(=O)N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CCCC4)C(=O)N

InChI

InChI=1S/C22H29N7O2/c1-15(30)28-10-12-29(13-11-28)18-8-6-17(7-9-18)26-22-24-14-19(20(23)31)21(27-22)25-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H2,23,31)(H2,24,25,26,27)