2-(cyclohexylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-(cyclohexylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-(cyclohexylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(cyclohexylmethylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-(cyclohexylmethylsulfanylmethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(cyclohexylmethylthio)methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C16H22N2OS2 MolecularWeight: 322.48868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3CCCCC3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSCC3CCCCC3)C

InChI

InChI=1S/C16H22N2OS2/c1-10-11(2)21-16-14(10)15(19)17-13(18-16)9-20-8-12-6-4-3-5-7-12/h12H,3-9H2,1-2H3,(H,17,18,19)