ethyl 1-[5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[[4-ethyl-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[5-[[[4-ethyl-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furoyl]isonipecotic acid ethyl ester Formula: C25H35N5O4S MolecularWeight: 501.6415

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCN(CC4)C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCC(CC3)C(=O)OCC)N4CCN(CC4)C

InChI

InChI=1S/C25H35N5O4S/c1-4-19-16-22(29-14-12-28(3)13-15-29)27-25(26-19)35-17-20-6-7-21(34-20)23(31)30-10-8-18(9-11-30)24(32)33-5-2/h6-7,16,18H,4-5,8-15,17H2,1-3H3