ethyl 1-[2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[4-chloranyl-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[4-chloro-6-[4-(o-tolyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[4-chloro-6-[4-(2-methylphenyl)-1-piperazinyl]-2-pyrimidinyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[4-chloro-6-[4-(2-methylphenyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-chloro-6-[4-(o-tolyl)piperazino]pyrimidin-2-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C25H32ClN5O3S MolecularWeight: 518.07128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NC(=CC(=N2)Cl)N3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C25H32ClN5O3S/c1-3-34-24(33)19-8-10-31(11-9-19)23(32)17-35-25-27-21(26)16-22(28-25)30-14-12-29(13-15-30)20-7-5-4-6-18(20)2/h4-7,16,19H,3,8-15,17H2,1-2H3