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

Systemtic Name: [5-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [5-[[4-ethyl-6-(2-methyl-1-piperidyl)pyrimidin-2-yl]sulfanylmethyl]-2-furyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [5-[[[4-ethyl-6-(2-methyl-1-piperidinyl)-2-pyrimidinyl]thio]methyl]-2-furanyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [5-[[4-ethyl-6-(2-methylpiperidin-1-yl)pyrimidin-2-yl]sulfanylmethyl]furan-2-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [5-[[[4-ethyl-6-(2-methylpiperidino)pyrimidin-2-yl]thio]methyl]-2-furyl]-(4-methylpiperazino)methanone Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCN(CC3)C)N4CCCCC4C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)N3CCN(CC3)C)N4CCCCC4C

InChI

InChI=1S/C23H33N5O2S/c1-4-18-15-21(28-10-6-5-7-17(28)2)25-23(24-18)31-16-19-8-9-20(30-19)22(29)27-13-11-26(3)12-14-27/h8-9,15,17H,4-7,10-14,16H2,1-3H3