4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethyl-chromen-2-one

Systemtic Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethyl-chromen-2-one Openeye Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethyl-chromen-2-one CAS Name: 4-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-7-ethylchromen-2-one Traditional Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]-7-ethyl-coumarin Formula: C20H18N2O2S2 MolecularWeight: 382.49912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C(=C(S4)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C(=C(S4)C)C

InChI

InChI=1S/C20H18N2O2S2/c1-4-13-5-6-15-14(8-17(23)24-16(15)7-13)9-25-19-18-11(2)12(3)26-20(18)22-10-21-19/h5-8,10H,4,9H2,1-3H3