1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]ethanone Formula: C27H32N4O MolecularWeight: 428.56918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C)CC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H32N4O/c1-5-25-24(18-23-17-19(2)11-12-20(23)3)27(31-15-13-30(14-16-31)21(4)32)29-26(28-25)22-9-7-6-8-10-22/h6-12,17H,5,13-16,18H2,1-4H3