3-[3-(5-methylimidazol-1-yl)propyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(5-methylimidazol-1-yl)propyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-[3-(5-methylimidazol-1-yl)propyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(5-methyl-1-imidazolyl)propyl]-6-(phenylmethyl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-[3-(5-methylimidazol-1-yl)propyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-[3-(5-methylimidazol-1-yl)propyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C20H20N4OS2 MolecularWeight: 396.529

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=CN1CCCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CN=CN1CCCN2C(=O)C3=C(NC2=S)SC(=C3)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4OS2/c1-14-12-21-13-23(14)8-5-9-24-19(25)17-11-16(27-18(17)22-20(24)26)10-15-6-3-2-4-7-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,22,26)