2-[[2,2-bis(azanyl)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione

Systemtic Name: 2-[[2,2-bis(azanyl)-1,3-oxathiolan-5-yl]methyl]isoindole-1,3-dione Openeye Name: 2-[(2,2-diamino-1,3-oxathiolan-5-yl)methyl]isoindoline-1,3-dione CAS Name: 2-[(2,2-diamino-1,3-oxathiolan-5-yl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(2,2-diamino-1,3-oxathiolan-5-yl)methyl]isoindole-1,3-dione Traditional Name: 2-[(2,2-diamino-1,3-oxathiolan-5-yl)methyl]isoindoline-1,3-quinone Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(S1)(N)N)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1C(OC(S1)(N)N)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C12H13N3O3S/c13-12(14)18-7(6-19-12)5-15-10(16)8-3-1-2-4-9(8)11(15)17/h1-4,7H,5-6,13-14H2