N-[2-[[2-phenyl-6-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide

Systemtic Name: N-[2-[[2-phenyl-6-[4-(1H-pyrrol-2-ylcarbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[2-phenyl-6-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-[oxo(1H-pyrrol-2-yl)methyl]-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[2-phenyl-6-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]pyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[2-phenyl-6-[4-(1H-pyrrole-2-carbonyl)piperazino]pyrimidin-4-yl]amino]ethyl]acetamide Formula: C23H27N7O2 MolecularWeight: 433.50618

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CN3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)N2CCN(CC2)C(=O)C3=CC=CN3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N7O2/c1-17(31)24-10-11-26-20-16-21(28-22(27-20)18-6-3-2-4-7-18)29-12-14-30(15-13-29)23(32)19-8-5-9-25-19/h2-9,16,25H,10-15H2,1H3,(H,24,31)(H,26,27,28)