(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,4,6-trimethylbenzoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,4,6-trimethylbenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3)C

InChI

InChI=1S/C17H16N2O3S/c1-9-6-10(2)14(11(3)7-9)17(21)22-8-13-18-12-4-5-23-15(12)16(20)19-13/h4-7H,8H2,1-3H3,(H,18,19,20)