[4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-[(3-chlorophenyl)methyl]-6-ethyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-(3-chlorobenzyl)-6-ethyl-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C28H27ClN4OS MolecularWeight: 503.05818

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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=CC(=CC=C5)Cl

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4OS/c1-2-24-23(19-20-8-6-11-22(29)18-20)27(31-26(30-24)21-9-4-3-5-10-21)32-13-15-33(16-14-32)28(34)25-12-7-17-35-25/h3-12,17-18H,2,13-16,19H2,1H3