2-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidine-4,6-dione

Systemtic Name: 2-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidine-4,6-dione Openeye Name: 2-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidine-4,6-dione CAS Name: 2-methyl-5-[2-(pentylthio)ethyl]-1H-pyrimidine-4,6-dione IUPAC Name: 2-methyl-5-(2-pentylsulfanylethyl)-1H-pyrimidine-4,6-dione Traditional Name: 5-[2-(amylthio)ethyl]-2-methyl-1H-pyrimidine-4,6-quinone Formula: C12H20N2O2S MolecularWeight: 256.3644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCC1C(=O)NC(=NC1=O)C

Isomeric SMILES

CCCCCSCCC1C(=O)NC(=NC1=O)C

InChI

InChI=1S/C12H20N2O2S/c1-3-4-5-7-17-8-6-10-11(15)13-9(2)14-12(10)16/h10H,3-8H2,1-2H3,(H,13,14,15,16)