5-(furan-2-yl)-2-[(2-methoxy-5-methyl-phenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-(furan-2-yl)-2-[(2-methoxy-5-methyl-phenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-(2-furyl)-2-[(2-methoxy-5-methyl-phenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-(2-furanyl)-2-[[(2-methoxy-5-methylphenyl)methylthio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-(furan-2-yl)-2-[(2-methoxy-5-methylphenyl)methylsulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-(2-furyl)-2-[[(2-methoxy-5-methyl-benzyl)thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSCC2=NC3=C(C(=CS3)C4=CC=CO4)C(=O)N2

InChI

InChI=1S/C20H18N2O3S2/c1-12-5-6-15(24-2)13(8-12)9-26-11-17-21-19(23)18-14(10-27-20(18)22-17)16-4-3-7-25-16/h3-8,10H,9,11H2,1-2H3,(H,21,22,23)