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

Systemtic Name: [4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(methoxymethyl)-2-phenyl-5-(p-tolylmethyl)pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-(methoxymethyl)-5-[(4-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(methoxymethyl)-5-(4-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)COC

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)COC

InChI

InChI=1S/C29H30N4O2S/c1-21-10-12-22(13-11-21)19-24-25(20-35-2)30-27(23-7-4-3-5-8-23)31-28(24)32-14-16-33(17-15-32)29(34)26-9-6-18-36-26/h3-13,18H,14-17,19-20H2,1-2H3