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

Systemtic Name: N-ethyl-5-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Openeye Name: N-ethyl-5-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: N-ethyl-5-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-2-furancarboxamide IUPAC Name: N-ethyl-5-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-ethyl-5-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O2S/c1-3-24-22(29)20-10-9-18(30-20)16-31-23-25-19(17-7-5-4-6-8-17)15-21(26-23)28-13-11-27(2)12-14-28/h4-10,15H,3,11-14,16H2,1-2H3,(H,24,29)