2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-butyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-butyl-thieno[3,2-d]pyrimidin-4-one Formula: C18H18N4OS2 MolecularWeight: 370.49172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCCCN1C(=O)C2=C(C=CS2)N=C1SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4OS2/c1-2-3-9-22-17(23)16-14(8-10-24-16)21-18(22)25-11-15-19-12-6-4-5-7-13(12)20-15/h4-8,10H,2-3,9,11H2,1H3,(H,19,20)