3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 3-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 3-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 3-[[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC(=CC=C4)O

Isomeric SMILES

C1CCN(C1)CCSC2=NC=CC(=N2)C3CCCN(C3)CC4=CC(=CC=C4)O

InChI

InChI=1S/C22H30N4OS/c27-20-7-3-5-18(15-20)16-26-12-4-6-19(17-26)21-8-9-23-22(24-21)28-14-13-25-10-1-2-11-25/h3,5,7-9,15,19,27H,1-2,4,6,10-14,16-17H2