5,6-dimethyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3CC(C)C)C

InChI

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