7,8-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7,8-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7,8-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one CAS Name: 7,8-dimethyl-4-[[(2,5,6-trimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7,8-dimethyl-4-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7,8-dimethyl-4-[[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]coumarin Formula: C21H20N2O2S2 MolecularWeight: 396.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=C3C(=C(S4)C)C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC(=NC4=C3C(=C(S4)C)C)C)C

InChI

InChI=1S/C21H20N2O2S2/c1-10-6-7-16-15(8-17(24)25-19(16)11(10)2)9-26-20-18-12(3)13(4)27-21(18)23-14(5)22-20/h6-8H,9H2,1-5H3