(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C16H10N4O4S MolecularWeight: 354.34

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

InChI=1S/C16H10N4O4S/c21-12-7-9(17-16-20(12)5-6-25-16)8-24-15(23)13-10-3-1-2-4-11(10)14(22)19-18-13/h1-7H,8H2,(H,19,22)