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

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-butylbenzoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 4-butylbenzoate CAS Name: 4-butylbenzoic 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 4-butylbenzoate Traditional Name: 4-butylbenzoic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)OCC2=NC3=C(C(=C(S3)C)C)C(=O)N2

InChI

InChI=1S/C20H22N2O3S/c1-4-5-6-14-7-9-15(10-8-14)20(24)25-11-16-21-18(23)17-12(2)13(3)26-19(17)22-16/h7-10H,4-6,11H2,1-3H3,(H,21,22,23)