2-methoxy-4-[(E)-3-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol

Systemtic Name: 2-methoxy-4-[(E)-3-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol Openeye Name: 2-methoxy-4-[(E)-3-[3-[5-methyl-2-(tetrahydrofuran-2-ylmethylsulfanyl)pyrimidin-4-yl]-1-piperidyl]prop-1-enyl]phenol CAS Name: 2-methoxy-4-[(E)-3-[3-[5-methyl-2-(2-oxolanylmethylthio)-4-pyrimidinyl]-1-piperidinyl]prop-1-enyl]phenol IUPAC Name: 2-methoxy-4-[(E)-3-[3-[5-methyl-2-(oxolan-2-ylmethylsulfanyl)pyrimidin-4-yl]piperidin-1-yl]prop-1-enyl]phenol Traditional Name: 2-methoxy-4-[(E)-3-[3-[5-methyl-2-(tetrahydrofurfurylthio)pyrimidin-4-yl]piperidino]prop-1-enyl]phenol Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2CCCN(C2)CC=CC3=CC(=C(C=C3)O)OC)SCC4CCCO4

Isomeric SMILES

CC1=CN=C(N=C1C2CCCN(C2)C/C=C/C3=CC(=C(C=C3)O)OC)SCC4CCCO4

InChI

InChI=1S/C25H33N3O3S/c1-18-15-26-25(32-17-21-8-5-13-31-21)27-24(18)20-7-4-12-28(16-20)11-3-6-19-9-10-22(29)23(14-19)30-2/h3,6,9-10,14-15,20-21,29H,4-5,7-8,11-13,16-17H2,1-2H3/b6-3+