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

Systemtic Name: 2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(pyrrolidin-3-ylmethyl)ethanamide Openeye Name: 2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(pyrrolidin-3-ylmethyl)acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-2-pyrimidinyl]thio]-N-(3-pyrrolidinylmethyl)acetamide IUPAC Name: 2-[5-(4-methoxyphenyl)pyrimidin-2-yl]sulfanyl-N-(pyrrolidin-3-ylmethyl)acetamide Traditional Name: 2-[[5-(4-methoxyphenyl)pyrimidin-2-yl]thio]-N-(pyrrolidin-3-ylmethyl)acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCNC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=C(N=C2)SCC(=O)NCC3CCNC3

InChI

InChI=1S/C18H22N4O2S/c1-24-16-4-2-14(3-5-16)15-10-21-18(22-11-15)25-12-17(23)20-9-13-6-7-19-8-13/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,20,23)