5,5-bis(2-butylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione

Systemtic Name: 5,5-bis(2-butylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione Openeye Name: 5,5-bis(2-butylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione CAS Name: 5,5-bis[2-(butylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione IUPAC Name: 5,5-bis(2-butylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione Traditional Name: 5,5-bis[2-(butylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCC

Isomeric SMILES

CCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCC

InChI

InChI=1S/C22H32N2O2S2/c1-3-5-14-27-16-12-22(13-17-28-15-6-4-2)20(25)23-19(24-21(22)26)18-10-8-7-9-11-18/h7-11H,3-6,12-17H2,1-2H3,(H,23,24,25,26)