N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cycloheptylpiperazin-1-yl)ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cycloheptylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cycloheptylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-cycloheptyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-cycloheptylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-cycloheptylpiperazino)acetamide Formula: C27H39N7O2 MolecularWeight: 493.64426

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3CCCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)C3CCCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C27H39N7O2/c1-21(35)28-13-14-29-24-19-25(32-27(31-24)22-9-5-4-6-10-22)30-26(36)20-33-15-17-34(18-16-33)23-11-7-2-3-8-12-23/h4-6,9-10,19,23H,2-3,7-8,11-18,20H2,1H3,(H,28,35)(H2,29,30,31,32,36)