2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(6-ethoxyspiro[chromane-2,1'-cyclohexane]-4-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(6-ethoxy-4-spiro[3,4-dihydro-2H-1-benzopyran-2,1'-cyclohexane]yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(6-ethoxyspiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(6-ethoxyspiro[chroman-2,1'-cyclohexane]-4-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C26H34N4O3S MolecularWeight: 482.63816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC3(CCCCC3)CC2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC3(CCCCC3)CC2SCC(=O)N4CCN(CC4)C5=NC=CC=N5

InChI

InChI=1S/C26H34N4O3S/c1-2-32-20-7-8-22-21(17-20)23(18-26(33-22)9-4-3-5-10-26)34-19-24(31)29-13-15-30(16-14-29)25-27-11-6-12-28-25/h6-8,11-12,17,23H,2-5,9-10,13-16,18-19H2,1H3