2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(7-ethyl-2-oxo-chromen-4-yl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylthio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(7-ethyl-2-oxochromen-4-yl)methylsulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(7-ethyl-2-keto-chromen-4-yl)methylthio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSCC3=NC4=C(C(=C(S4)C)C)C(=O)N3

InChI

InChI=1S/C21H20N2O3S2/c1-4-13-5-6-15-14(8-18(24)26-16(15)7-13)9-27-10-17-22-20(25)19-11(2)12(3)28-21(19)23-17/h5-8H,4,9-10H2,1-3H3,(H,22,23,25)