2-methyl-4-[4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]methyl]phenyl]but-3-yn-2-ol Formula: C27H36N4OS MolecularWeight: 464.66594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)O

InChI

InChI=1S/C27H36N4OS/c1-27(2,32)13-11-22-7-9-23(10-8-22)20-31-17-5-6-24(21-31)25-12-14-28-26(29-25)33-19-18-30-15-3-4-16-30/h7-10,12,14,24,32H,3-6,15-21H2,1-2H3