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

Systemtic Name: [4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(2,5-dimethylphenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(2,5-dimethylbenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C30H32N4OS MolecularWeight: 496.66628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=C(C=CC(=C5)C)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=C(C=CC(=C5)C)C

InChI

InChI=1S/C30H32N4OS/c1-4-26-25(20-24-19-21(2)12-13-22(24)3)29(32-28(31-26)23-9-6-5-7-10-23)33-14-16-34(17-15-33)30(35)27-11-8-18-36-27/h5-13,18-19H,4,14-17,20H2,1-3H3