pentyl (5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethanoate

Systemtic Name: pentyl (5,6-dimethyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethanoate Openeye Name: pentyl (5,6-dimethyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylformate CAS Name: [(5,6-dimethyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]formic acid pentyl ester IUPAC Name: pentyl (5,6-dimethyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylformate Traditional Name: [(4-keto-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]formic acid amyl ester Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)SC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=CC=C3

Isomeric SMILES

CCCCCOC(=O)SC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=CC=C3

InChI

InChI=1S/C20H22N2O3S2/c1-4-5-9-12-25-20(24)27-19-21-17-16(13(2)14(3)26-17)18(23)22(19)15-10-7-6-8-11-15/h6-8,10-11H,4-5,9,12H2,1-3H3