4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrimidin-2-olate

Systemtic Name: 4-[(3-chloranyl-1-benzothiophen-2-yl)carbonylamino]pyrimidin-2-olate Openeye Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrimidin-2-olate CAS Name: 4-[[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]amino]-2-pyrimidinolate IUPAC Name: 4-[(3-chloro-1-benzothiophene-2-carbonyl)amino]pyrimidin-2-olate Traditional Name: 4-[(3-chlorobenzothiophene-2-carbonyl)amino]pyrimidin-2-olate Formula: C13H7ClN3O2S- MolecularWeight: 304.73158

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC(=NC=C3)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=NC(=NC=C3)[O-])Cl

InChI

InChI=1S/C13H8ClN3O2S/c14-10-7-3-1-2-4-8(7)20-11(10)12(18)16-9-5-6-15-13(19)17-9/h1-6H,(H2,15,16,17,18,19)/p-1