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

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(butylamino)benzoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic 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-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C18H19N3O3S/c1-2-3-9-19-13-7-5-4-6-12(13)18(23)24-11-15-20-14-8-10-25-16(14)17(22)21-15/h4-8,10,19H,2-3,9,11H2,1H3,(H,20,21,22)