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

Systemtic Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-propan-2-yl-furan-2-carboxamide Openeye Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-pyrimidin-2-yl]sulfanylmethyl]-N-isopropyl-furan-2-carboxamide CAS Name: 5-[[[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-6-methyl-2-pyrimidinyl]thio]methyl]-N-propan-2-yl-2-furancarboxamide IUPAC Name: 5-[[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methylpyrimidin-2-yl]sulfanylmethyl]-N-propan-2-ylfuran-2-carboxamide Traditional Name: N-isopropyl-5-[[[4-methyl-6-(4-piperonylpiperazino)pyrimidin-2-yl]thio]methyl]-2-furamide Formula: C26H31N5O4S MolecularWeight: 509.62044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC(C)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)NC(C)C)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H31N5O4S/c1-17(2)27-25(32)22-7-5-20(35-22)15-36-26-28-18(3)12-24(29-26)31-10-8-30(9-11-31)14-19-4-6-21-23(13-19)34-16-33-21/h4-7,12-13,17H,8-11,14-16H2,1-3H3,(H,27,32)