5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide

Systemtic Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide Openeye Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-cyclopropyl-furan-2-carboxamide CAS Name: 5-[[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]thio]methyl]-N-cyclopropyl-2-furancarboxamide IUPAC Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-cyclopropylfuran-2-carboxamide Traditional Name: N-cyclopropyl-5-[[[4-methyl-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C26H29N5O4S MolecularWeight: 507.60456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC3CC3)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C26H29N5O4S/c1-17-12-24(29-26(27-17)36-15-20-5-7-22(35-20)25(32)28-19-3-4-19)31-10-8-30(9-11-31)14-18-2-6-21-23(13-18)34-16-33-21/h2,5-7,12-13,19H,3-4,8-11,14-16H2,1H3,(H,28,32)