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

Systemtic Name: 5-[[4-methyl-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)furan-2-carboxamide Openeye Name: N-benzyl-5-[[4-(4-benzylpiperazin-1-yl)-6-methyl-pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide CAS Name: 5-[[[4-methyl-6-[4-(phenylmethyl)-1-piperazinyl]-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)-2-furancarboxamide IUPAC Name: N-benzyl-5-[[4-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide Traditional Name: N-benzyl-5-[[[4-(4-benzylpiperazino)-6-methyl-pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C29H31N5O2S MolecularWeight: 513.65374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NCC3=CC=CC=C3)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N5O2S/c1-22-18-27(34-16-14-33(15-17-34)20-24-10-6-3-7-11-24)32-29(31-22)37-21-25-12-13-26(36-25)28(35)30-19-23-8-4-2-5-9-23/h2-13,18H,14-17,19-21H2,1H3,(H,30,35)