2-methoxy-5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-methoxy-5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]methyl]phenol CAS Name: 2-methoxy-5-[[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-methoxy-5-[[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-methoxy-5-[[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]methyl]phenol Formula: C23H32N4O2S MolecularWeight: 428.59078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)O

InChI

InChI=1S/C23H32N4O2S/c1-29-22-7-6-18(15-21(22)28)16-27-12-4-5-19(17-27)20-8-9-24-23(25-20)30-14-13-26-10-2-3-11-26/h6-9,15,19,28H,2-5,10-14,16-17H2,1H3