N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-[6-(2-acetamidoethylamino)-2-phenyl-4-pyrimidinyl]-2-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-[6-(2-acetamidoethylamino)-2-phenylpyrimidin-4-yl]-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-[6-(2-acetamidoethylamino)-2-phenyl-pyrimidin-4-yl]-2-(4-p-anisylpiperazino)acetamide Formula: C28H35N7O3 MolecularWeight: 517.6226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

Isomeric SMILES

CC(=O)NCCNC1=NC(=NC(=C1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C28H35N7O3/c1-21(36)29-12-13-30-25-18-26(33-28(32-25)23-6-4-3-5-7-23)31-27(37)20-35-16-14-34(15-17-35)19-22-8-10-24(38-2)11-9-22/h3-11,18H,12-17,19-20H2,1-2H3,(H,29,36)(H2,30,31,32,33,37)