2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxylate

Systemtic Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxidanylidene-4,5-dihydro-1H-pyrimidine-4-carboxylate Openeye Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxylate CAS Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxylate IUPAC Name: 2-(1,3-benzothiazol-2-ylamino)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-ylamino)-6-keto-4,5-dihydro-1H-pyrimidine-4-carboxylate Formula: C12H9N4O3S- MolecularWeight: 289.28986

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N=C(NC1=O)NC2=NC3=CC=CC=C3S2)C(=O)[O-]

Isomeric SMILES

C1C(N=C(NC1=O)NC2=NC3=CC=CC=C3S2)C(=O)[O-]

InChI

InChI=1S/C12H10N4O3S/c17-9-5-7(10(18)19)13-11(15-9)16-12-14-6-3-1-2-4-8(6)20-12/h1-4,7H,5H2,(H,18,19)(H2,13,14,15,16,17)/p-1