1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(8-phenyloctyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(8-phenyloctyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(8-phenyloctyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C23H28N4OS/c28-22-21(14-20-15-24-18-25-16-20)17-27(23(29)26-22)13-9-4-2-1-3-6-10-19-11-7-5-8-12-19/h5,7-8,11-12,15-18H,1-4,6,9-10,13-14H2,(H,26,28,29)