5-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide

Systemtic Name: 5-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Openeye Name: N-isobutyl-5-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)-2-furancarboxamide IUPAC Name: 5-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-methylpropyl)furan-2-carboxamide Traditional Name: N-isobutyl-5-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C25H31N5O2S MolecularWeight: 465.61094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CC(C)CNC(=O)C1=CC=C(O1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H31N5O2S/c1-18(2)16-26-24(31)22-10-9-20(32-22)17-33-25-27-21(19-7-5-4-6-8-19)15-23(28-25)30-13-11-29(3)12-14-30/h4-10,15,18H,11-14,16-17H2,1-3H3,(H,26,31)