2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-butyl-5,6-dimethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-butyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-butyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=NC4=CC=CC=C4N3)SC(=C2C)C

InChI

InChI=1S/C20H22N4OS2/c1-4-5-10-24-19(25)17-12(2)13(3)27-18(17)23-20(24)26-11-16-21-14-8-6-7-9-15(14)22-16/h6-9H,4-5,10-11H2,1-3H3,(H,21,22)