1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(4-hexylphenyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(4-hexylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(4-hexylphenyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C21H24N4OS/c1-2-3-4-5-6-16-7-9-19(10-8-16)25-14-18(20(26)24-21(25)27)11-17-12-22-15-23-13-17/h7-10,12-15H,2-6,11H2,1H3,(H,24,26,27)