6-(3,5-dimethylphenyl)sulfanyl-5-methyl-1-(3-oxidanylpropoxy)pyrimidine-2,4-dione

Systemtic Name: 6-(3,5-dimethylphenyl)sulfanyl-5-methyl-1-(3-oxidanylpropoxy)pyrimidine-2,4-dione Openeye Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(3-hydroxypropoxy)-5-methyl-pyrimidine-2,4-dione CAS Name: 6-[(3,5-dimethylphenyl)thio]-1-(3-hydroxypropoxy)-5-methylpyrimidine-2,4-dione IUPAC Name: 6-(3,5-dimethylphenyl)sulfanyl-1-(3-hydroxypropoxy)-5-methylpyrimidine-2,4-dione Traditional Name: 6-[(3,5-dimethylphenyl)thio]-1-(3-hydroxypropoxy)-5-methyl-pyrimidine-2,4-quinone Formula: C16H20N2O4S MolecularWeight: 336.406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2OCCCO)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=O)N2OCCCO)C)C

InChI

InChI=1S/C16H20N2O4S/c1-10-7-11(2)9-13(8-10)23-15-12(3)14(20)17-16(21)18(15)22-6-4-5-19/h7-9,19H,4-6H2,1-3H3,(H,17,20,21)