N-[2-[[2-phenyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-(1-oxopropyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-phenyl-6-(4-propanoylpiperazin-1-yl)pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-phenyl-6-(4-propionylpiperazino)pyrimidin-4-yl]amino]ethyl]acetamide Formula: C21H28N6O2 MolecularWeight: 396.48602

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC(=NC(=N2)C3=CC=CC=C3)NCCNC(=O)C

InChI

InChI=1S/C21H28N6O2/c1-3-20(29)27-13-11-26(12-14-27)19-15-18(23-10-9-22-16(2)28)24-21(25-19)17-7-5-4-6-8-17/h4-8,15H,3,9-14H2,1-2H3,(H,22,28)(H,23,24,25)