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

Systemtic Name: 4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 4-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 4-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 4-[[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=C(C=C4)O

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4OS/c27-20-7-5-18(6-8-20)16-26-13-3-4-19(17-26)21-9-10-23-22(24-21)28-15-14-25-11-1-2-12-25/h5-10,19,27H,1-4,11-17H2