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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butoxybenzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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 4-butoxybenzoate Traditional Name: 4-butoxybenzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H18N2O4S/c1-2-3-9-23-13-6-4-12(5-7-13)18(22)24-11-15-19-14-8-10-25-16(14)17(21)20-15/h4-8,10H,2-3,9,11H2,1H3,(H,19,20,21)