2-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)isoindole-1,3-dione

Systemtic Name: 2-(2-azanyl-4-oxidanyl-6-oxidanylidene-1H-pyrimidin-5-yl)isoindole-1,3-dione Openeye Name: 2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindoline-1,3-dione CAS Name: 2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindole-1,3-dione IUPAC Name: 2-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)isoindole-1,3-dione Traditional Name: 2-(2-amino-4-hydroxy-6-keto-1H-pyrimidin-5-yl)isoindoline-1,3-quinone Formula: C12H8N4O4 MolecularWeight: 272.21632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(N=C(NC3=O)N)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(N=C(NC3=O)N)O

InChI

InChI=1S/C12H8N4O4/c13-12-14-8(17)7(9(18)15-12)16-10(19)5-3-1-2-4-6(5)11(16)20/h1-4H,(H4,13,14,15,17,18)