S-(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl) 4-azidobenzenecarbothioate

Systemtic Name: S-(6-azanyl-2-oxidanylidene-1H-pyrimidin-5-yl) 4-azidobenzenecarbothioate Openeye Name: S-(6-amino-2-oxo-1H-pyrimidin-5-yl) 4-azidobenzenecarbothioate CAS Name: 4-azidobenzenecarbothioic acid S-(6-amino-2-oxo-1H-pyrimidin-5-yl) ester IUPAC Name: S-(6-amino-2-oxo-1H-pyrimidin-5-yl) 4-azidobenzenecarbothioate Traditional Name: 4-azidothiobenzoic acid S-(6-amino-2-keto-1H-pyrimidin-5-yl) ester Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)SC2=C(NC(=O)N=C2)N)N=[N+]=[N-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)SC2=C(NC(=O)N=C2)N)N=[N+]=[N-]

InChI

InChI=1S/C11H8N6O2S/c12-9-8(5-14-11(19)15-9)20-10(18)6-1-3-7(4-2-6)16-17-13/h1-5H,(H3,12,14,15,19)