N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)-3-pyrrolidinyl]methyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]-N-[(1-piperonylpyrrolidin-3-yl)methyl]acetamide Formula: C26H28N4O4S MolecularWeight: 492.58992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCN(C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCN(C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N4O4S/c1-32-22-5-3-20(4-6-22)21-12-28-26(29-13-21)35-16-25(31)27-11-19-8-9-30(15-19)14-18-2-7-23-24(10-18)34-17-33-23/h2-7,10,12-13,19H,8-9,11,14-17H2,1H3,(H,27,31)