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

Systemtic Name: 1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(3-nonoxyphenyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(3-nonoxyphenyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(3-nonoxyphenyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C24H30N4O2S MolecularWeight: 438.5856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=CC(=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCOC1=CC=CC(=C1)N2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C24H30N4O2S/c1-2-3-4-5-6-7-8-12-30-22-11-9-10-21(14-22)28-17-20(23(29)27-24(28)31)13-19-15-25-18-26-16-19/h9-11,14-18H,2-8,12-13H2,1H3,(H,27,29,31)