5-(4-chlorophenyl)-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-2-[[(1-hexyl-2-benzimidazolyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-2-[(1-hexylbenzimidazol-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-2-[[(1-hexylbenzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H25ClN4OS2 MolecularWeight: 509.0859

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=CS4)C5=CC=C(C=C5)Cl)C(=O)N3

InChI

InChI=1S/C26H25ClN4OS2/c1-2-3-4-7-14-31-21-9-6-5-8-20(21)28-26(31)34-16-22-29-24(32)23-19(15-33-25(23)30-22)17-10-12-18(27)13-11-17/h5-6,8-13,15H,2-4,7,14,16H2,1H3,(H,29,30,32)