N-cyclopropyl-5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide

Systemtic Name: N-cyclopropyl-5-[[4-ethyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide CAS Name: N-cyclopropyl-5-[[[4-ethyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: 5-[[4-(4-benzylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide Traditional Name: 5-[[[4-(4-benzylpiperazino)-6-ethyl-pyrimidin-2-yl]thio]methyl]-N-cyclopropyl-2-furamide Formula: C26H31N5O2S MolecularWeight: 477.62164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5O2S/c1-2-20-16-24(31-14-12-30(13-15-31)17-19-6-4-3-5-7-19)29-26(28-20)34-18-22-10-11-23(33-22)25(32)27-21-8-9-21/h3-7,10-11,16,21H,2,8-9,12-15,17-18H2,1H3,(H,27,32)