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

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethylpiperazin-1-yl)ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethylpiperazin-1-yl)acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-(4-phenethyl-1-piperazinyl)acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-(4-phenethylpiperazin-1-yl)acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-phenethylpiperazino)acetamide Formula: C28H35N7O2 MolecularWeight: 501.6232

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H35N7O2/c1-22(36)29-13-14-30-25-20-26(33-28(32-25)24-10-6-3-7-11-24)31-27(37)21-35-18-16-34(17-19-35)15-12-23-8-4-2-5-9-23/h2-11,20H,12-19,21H2,1H3,(H,29,36)(H2,30,31,32,33,37)