1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidene-pyrimidin-4-one Openeye Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-thioxo-pyrimidin-4-one CAS Name: 1-(9-phenylnonyl)-5-(5-pyrimidinylmethyl)-2-sulfanylidene-4-pyrimidinone IUPAC Name: 1-(9-phenylnonyl)-5-(pyrimidin-5-ylmethyl)-2-sulfanylidenepyrimidin-4-one Traditional Name: 1-(9-phenylnonyl)-5-(5-pyrimidylmethyl)-2-thioxo-pyrimidin-4-one Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCN2C=C(C(=O)NC2=S)CC3=CN=CN=C3

InChI

InChI=1S/C24H30N4OS/c29-23-22(15-21-16-25-19-26-17-21)18-28(24(30)27-23)14-10-5-3-1-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-13,16-19H,1-5,7,10-11,14-15H2,(H,27,29,30)