(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C(C(C)C)NC(=O)C3=CC=CO3)C

InChI

InChI=1S/C19H21N3O5S/c1-9(2)15(22-16(23)12-6-5-7-26-12)19(25)27-8-13-20-17(24)14-10(3)11(4)28-18(14)21-13/h5-7,9,15H,8H2,1-4H3,(H,22,23)(H,20,21,24)