2-(5-methyl-4-oxidanylidene-3-phenyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(5-methyl-4-oxidanylidene-3-phenyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(5-methyl-4-oxo-3-phenyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(5-methyl-4-oxo-3-phenyl-6-propyl-2-thieno[2,3-d]pyrimidinyl)thio]acetic acid IUPAC Name: 2-(5-methyl-4-oxo-3-phenyl-6-propylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-keto-5-methyl-3-phenyl-6-propyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetic acid Formula: C18H18N2O3S2 MolecularWeight: 374.47712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O)C

Isomeric SMILES

CCCC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)O)C

InChI

InChI=1S/C18H18N2O3S2/c1-3-7-13-11(2)15-16(25-13)19-18(24-10-14(21)22)20(17(15)23)12-8-5-4-6-9-12/h4-6,8-9H,3,7,10H2,1-2H3,(H,21,22)