3-(1,3-benzodioxol-5-ylcarbamoyl)-[1,2]thiazolo[4,3-d]pyrimidin-7-olate

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamoyl)-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamoyl)isothiazolo[4,3-d]pyrimidin-7-olate CAS Name: 3-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-7-isothiazolo[4,3-d]pyrimidinolate IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamoyl)-[1,2]thiazolo[4,3-d]pyrimidin-7-olate Traditional Name: 3-(1,3-benzodioxol-5-ylcarbamoyl)isothiazolo[4,3-d]pyrimidin-7-olate Formula: C13H7N4O4S- MolecularWeight: 315.28408

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C4C(=NS3)C(=NC=N4)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C4C(=NS3)C(=NC=N4)[O-]

InChI

InChI=1S/C13H8N4O4S/c18-12-10-9(14-4-15-12)11(22-17-10)13(19)16-6-1-2-7-8(3-6)21-5-20-7/h1-4H,5H2,(H,16,19)(H,14,15,18)/p-1