2-methoxy-4-[(E)-3-[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol

Systemtic Name: 2-methoxy-4-[(E)-3-[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol Openeye Name: 2-methoxy-4-[(E)-3-[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]prop-1-enyl]phenol CAS Name: 2-methoxy-4-[(E)-3-[3-[2-[2-(1-pyrrolidinyl)ethylthio]-4-pyrimidinyl]-1-piperidinyl]prop-1-enyl]phenol IUPAC Name: 2-methoxy-4-[(E)-3-[3-[2-(2-pyrrolidin-1-ylethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol Traditional Name: 2-methoxy-4-[(E)-3-[3-[2-(2-pyrrolidinoethylthio)pyrimidin-4-yl]piperidino]prop-1-enyl]phenol Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CCN2CCCC(C2)C3=NC(=NC=C3)SCCN4CCCC4)O

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O2S/c1-31-24-18-20(8-9-23(24)30)6-4-14-29-15-5-7-21(19-29)22-10-11-26-25(27-22)32-17-16-28-12-2-3-13-28/h4,6,8-11,18,21,30H,2-3,5,7,12-17,19H2,1H3/b6-4+