1-(3-decylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(3-decylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3-decylphenyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-decylphenyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3-decylphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3-decylphenyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C25H32N4OS MolecularWeight: 436.61278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=CC=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCC1=CC(=CC=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C25H32N4OS/c1-2-3-4-5-6-7-8-9-11-20-12-10-13-23(15-20)29-18-22(24(30)28-25(29)31)14-21-16-26-19-27-17-21/h10,12-13,15-19H,2-9,11,14H2,1H3,(H,28,30,31)