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

Systemtic Name: 2-[[1-(2-cyclohexyliminopyridin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[2-(2-cyclohexylimino-1-pyridyl)-1-methyl-2-oxo-ethyl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[[1-(2-cyclohexylimino-1-pyridinyl)-1-oxopropan-2-yl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[1-(2-cyclohexyliminopyridin-1-yl)-1-oxopropan-2-yl]sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[[2-(2-cyclohexylimino-1-pyridyl)-2-keto-1-methyl-ethyl]thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3C=CC=CC3=NC4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(C)C(=O)N3C=CC=CC3=NC4CCCCC4)C

InChI

InChI=1S/C23H28N4O2S2/c1-14-15(2)31-22-20(14)21(28)25-18(26-22)13-30-16(3)23(29)27-12-8-7-11-19(27)24-17-9-5-4-6-10-17/h7-8,11-12,16-17H,4-6,9-10,13H2,1-3H3,(H,25,26,28)