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

Systemtic Name: N-[2-[[6-[4-(2-acetamidoethanoyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]ethanamide Openeye Name: N-[2-[[6-[4-(2-acetamidoacetyl)piperazin-1-yl]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide CAS Name: N-[2-[[6-[4-(2-acetamido-1-oxoethyl)-1-piperazinyl]-2-phenyl-4-pyrimidinyl]amino]ethyl]acetamide IUPAC Name: N-[2-[[6-[4-(2-acetamidoacetyl)piperazin-1-yl]-2-phenylpyrimidin-4-yl]amino]ethyl]acetamide Traditional Name: N-[2-[[6-[4-(2-acetamidoacetyl)piperazino]-2-phenyl-pyrimidin-4-yl]amino]ethyl]acetamide Formula: C22H29N7O3 MolecularWeight: 439.51076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N7O3/c1-16(30)23-8-9-24-19-14-20(27-22(26-19)18-6-4-3-5-7-18)28-10-12-29(13-11-28)21(32)15-25-17(2)31/h3-7,14H,8-13,15H2,1-2H3,(H,23,30)(H,25,31)(H,24,26,27)