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

Systemtic Name: [4-[6-methyl-2-phenyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-methyl-2-phenyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-(5-benzyl-6-methyl-2-phenyl-pyrimidin-4-yl)piperazino]-(2-thienyl)methanone Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4OS/c1-20-23(19-21-9-4-2-5-10-21)26(29-25(28-20)22-11-6-3-7-12-22)30-14-16-31(17-15-30)27(32)24-13-8-18-33-24/h2-13,18H,14-17,19H2,1H3