5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentanoic acid

Systemtic Name: 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]pentanoic acid Openeye Name: 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxo-pyrimidin-1-yl]pentanoic acid CAS Name: 5-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-dioxo-1-pyrimidinyl]pentanoic acid IUPAC Name: 5-[6-(3,5-dimethylphenyl)sulfanyl-5-ethyl-2,4-dioxopyrimidin-1-yl]pentanoic acid Traditional Name: 5-[6-[(3,5-dimethylphenyl)thio]-5-ethyl-2,4-diketo-pyrimidin-1-yl]valeric acid Formula: C19H24N2O4S MolecularWeight: 376.46986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=O)NC1=O)CCCCC(=O)O)SC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCC1=C(N(C(=O)NC1=O)CCCCC(=O)O)SC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C19H24N2O4S/c1-4-15-17(24)20-19(25)21(8-6-5-7-16(22)23)18(15)26-14-10-12(2)9-13(3)11-14/h9-11H,4-8H2,1-3H3,(H,22,23)(H,20,24,25)