6-phenyl-3-(2-sulfanylpropyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione

Systemtic Name: 6-phenyl-3-(2-sulfanylpropyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione Openeye Name: 6-phenyl-3-(2-sulfanylpropyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione CAS Name: 3-(2-mercaptopropyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-dione IUPAC Name: 6-phenyl-3-(2-sulfanylpropyl)-1H-thieno[2,3-d]pyrimidine-2,4-dione Traditional Name: 3-(2-mercaptopropyl)-6-phenyl-1H-thieno[2,3-d]pyrimidine-2,4-quinone Formula: C15H14N2O2S2 MolecularWeight: 318.41386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C(=O)C2=C(NC1=O)SC(=C2)C3=CC=CC=C3)S

Isomeric SMILES

CC(CN1C(=O)C2=C(NC1=O)SC(=C2)C3=CC=CC=C3)S

InChI

InChI=1S/C15H14N2O2S2/c1-9(20)8-17-14(18)11-7-12(10-5-3-2-4-6-10)21-13(11)16-15(17)19/h2-7,9,20H,8H2,1H3,(H,16,19)