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

Systemtic Name: N-[2-[[6-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-[4-(dimethylamino)benzoyl]piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C27H33N7O2 MolecularWeight: 487.59662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H33N7O2/c1-20(35)28-13-14-29-24-19-25(31-26(30-24)21-7-5-4-6-8-21)33-15-17-34(18-16-33)27(36)22-9-11-23(12-10-22)32(2)3/h4-12,19H,13-18H2,1-3H3,(H,28,35)(H,29,30,31)