1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[2-[4-[(E)-pent-2-enyl]phenyl]ethyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC1=CC=C(C=C1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CC/C=C/CC1=CC=C(C=C1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C22H24N4OS/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-26-15-20(21(27)25-22(26)28)12-19-13-23-16-24-14-19/h3-4,6-9,13-16H,2,5,10-12H2,1H3,(H,25,27,28)/b4-3+