5,5-bis[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-2-phenyl-1H-pyrimidine-4,6-dione

Systemtic Name: 5,5-bis[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-2-phenyl-1H-pyrimidine-4,6-dione Openeye Name: 5,5-bis[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-2-phenyl-1H-pyrimidine-4,6-dione CAS Name: 5,5-bis[2-[(2,4-dimethylphenyl)methylthio]ethyl]-2-phenyl-1H-pyrimidine-4,6-dione IUPAC Name: 5,5-bis[2-[(2,4-dimethylphenyl)methylsulfanyl]ethyl]-2-phenyl-1H-pyrimidine-4,6-dione Traditional Name: 5,5-bis[2-[(2,4-dimethylbenzyl)thio]ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone Formula: C32H36N2O2S2 MolecularWeight: 544.77044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSCCC2(C(=O)NC(=NC2=O)C3=CC=CC=C3)CCSCC4=C(C=C(C=C4)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSCCC2(C(=O)NC(=NC2=O)C3=CC=CC=C3)CCSCC4=C(C=C(C=C4)C)C)C

InChI

InChI=1S/C32H36N2O2S2/c1-22-10-12-27(24(3)18-22)20-37-16-14-32(15-17-38-21-28-13-11-23(2)19-25(28)4)30(35)33-29(34-31(32)36)26-8-6-5-7-9-26/h5-13,18-19H,14-17,20-21H2,1-4H3,(H,33,34,35,36)