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

Systemtic Name: N-[[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-[[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-[[1-[(3-chlorophenyl)methyl]-3-pyrrolidinyl]methyl]-2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]acetamide IUPAC Name: N-[[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-[[1-(3-chlorobenzyl)pyrrolidin-3-yl]methyl]-2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]acetamide Formula: C25H27ClN4O2S MolecularWeight: 483.02548

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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=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN4O2S/c1-32-23-7-5-20(6-8-23)21-13-28-25(29-14-21)33-17-24(31)27-12-19-9-10-30(16-19)15-18-3-2-4-22(26)11-18/h2-8,11,13-14,19H,9-10,12,15-17H2,1H3,(H,27,31)