(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-pentanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-pentanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 3-methyl-2-phenyl-pentanoate CAS Name: 3-methyl-2-phenylpentanoic 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 3-methyl-2-phenylpentanoate Traditional Name: 3-methyl-2-phenyl-valeric acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCC(C)C(C1=CC=CC=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C21H24N2O3S/c1-5-12(2)17(15-9-7-6-8-10-15)21(25)26-11-16-22-19(24)18-13(3)14(4)27-20(18)23-16/h6-10,12,17H,5,11H2,1-4H3,(H,22,23,24)