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

Systemtic Name: [4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(methoxymethyl)-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(methoxymethyl)-5-(3-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(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)C4=CC=CS4)C5=CC=CC=C5)COC

Isomeric SMILES

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

InChI

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