4-azanyl-2-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: 4-azanyl-2-[2-oxidanylidene-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-amino-2-[2-oxo-2-(3-phenylisoxazol-5-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(3-phenyl-5-isoxazolyl)ethyl]thio]-5-pyrimidinecarboxylate IUPAC Name: 4-amino-2-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(3-phenylisoxazol-5-yl)ethyl]thio]pyrimidine-5-carboxylate Formula: C16H11N4O4S- MolecularWeight: 355.34794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CSC3=NC=C(C(=N3)N)C(=O)[O-]

InChI

InChI=1S/C16H12N4O4S/c17-14-10(15(22)23)7-18-16(19-14)25-8-12(21)13-6-11(20-24-13)9-4-2-1-3-5-9/h1-7H,8H2,(H,22,23)(H2,17,18,19)/p-1