1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethanone Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C26H26N4O4S/c1-18-15-20(19-7-3-2-4-8-19)28-26(27-18)35-17-24(31)29-11-13-30(14-12-29)25(32)23-16-33-21-9-5-6-10-22(21)34-23/h2-10,15,23H,11-14,16-17H2,1H3