1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-[3-(5-phenylpentoxy)propyl]-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-[3-(5-phenylpentoxy)propyl]-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-[3-(5-phenylpentoxy)propyl]-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCOCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCOCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C23H28N4O2S/c28-22-21(14-20-15-24-18-25-16-20)17-27(23(30)26-22)11-7-13-29-12-6-2-5-10-19-8-3-1-4-9-19/h1,3-4,8-9,15-18H,2,5-7,10-14H2,(H,26,28,30)