N-[5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanamide

Systemtic Name: N-[5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanamide Openeye Name: N-[5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]-2-thienyl]acetamide CAS Name: N-[5-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]-2-thiophenyl]acetamide IUPAC Name: N-[5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide Traditional Name: N-[5-[[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]methyl]-2-thienyl]acetamide Formula: C22H31N5OS2 MolecularWeight: 445.64444

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(S1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

Isomeric SMILES

CC(=O)NC1=CC=C(S1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4

InChI

InChI=1S/C22H31N5OS2/c1-17(28)24-21-7-6-19(30-21)16-27-12-4-5-18(15-27)20-8-9-23-22(25-20)29-14-13-26-10-2-3-11-26/h6-9,18H,2-5,10-16H2,1H3,(H,24,28)