1-[2-(4-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[2-(4-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[2-(4-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[2-(4-pentylphenyl)ethyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[2-(4-pentylphenyl)ethyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[2-(4-amylphenyl)ethyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)CCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C22H26N4OS/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/h6-9,13-16H,2-5,10-12H2,1H3,(H,25,27,28)