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

Systemtic Name: 5,5-bis(2-decylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione Openeye Name: 5,5-bis(2-decylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione CAS Name: 5,5-bis[2-(decylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-dione IUPAC Name: 5,5-bis(2-decylsulfanylethyl)-2-phenyl-1H-pyrimidine-4,6-dione Traditional Name: 5,5-bis[2-(decylthio)ethyl]-2-phenyl-1H-pyrimidine-4,6-quinone Formula: C34H56N2O2S2 MolecularWeight: 588.95064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCSCCC1(C(=O)NC(=NC1=O)C2=CC=CC=C2)CCSCCCCCCCCCC

InChI

InChI=1S/C34H56N2O2S2/c1-3-5-7-9-11-13-15-20-26-39-28-24-34(25-29-40-27-21-16-14-12-10-8-6-4-2)32(37)35-31(36-33(34)38)30-22-18-17-19-23-30/h17-19,22-23H,3-16,20-21,24-29H2,1-2H3,(H,35,36,37,38)