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

Systemtic Name: 5-chloranyl-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: 5-chloro-2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-pyrimidinecarboxylate IUPAC Name: 5-chloro-2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]pyrimidine-4-carboxylate Formula: C13H15ClN3O3S- MolecularWeight: 328.7945

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=C(C(=N2)C(=O)[O-])Cl

InChI

InChI=1S/C13H16ClN3O3S/c14-9-6-15-13(17-11(9)12(19)20)21-7-10(18)16-8-4-2-1-3-5-8/h6,8H,1-5,7H2,(H,16,18)(H,19,20)/p-1