2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C20H22N4OS2/c1-2-3-4-7-11-24-16-9-6-5-8-14(16)22-20(24)27-13-17-21-15-10-12-26-18(15)19(25)23-17/h5-6,8-10,12H,2-4,7,11,13H2,1H3,(H,21,23,25)