[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C27H25FN4OS MolecularWeight: 472.577003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25FN4OS/c1-19-23(17-20-7-3-2-4-8-20)26(30-25(29-19)21-9-5-10-22(28)18-21)31-12-14-32(15-13-31)27(33)24-11-6-16-34-24/h2-11,16,18H,12-15,17H2,1H3