5-chloranyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: 5-chloranyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidine-4-carboxylate Formula: C15H13ClN3O3S- MolecularWeight: 350.80002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C15H14ClN3O3S/c16-11-8-18-15(19-13(11)14(21)22)23-9-12(20)17-7-6-10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H,17,20)(H,21,22)/p-1