2-[2-[(2-azanyl-5-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[(2-azanyl-5-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-amino-5-chloro-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-amino-5-chloroanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-amino-5-chloroanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2-amino-5-chloro-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H10ClN4O2S- MolecularWeight: 309.7514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC=CC(=N2)[O-])N

Isomeric SMILES

C1=CC(=C(C=C1Cl)NC(=O)CSC2=NC=CC(=N2)[O-])N

InChI

InChI=1S/C12H11ClN4O2S/c13-7-1-2-8(14)9(5-7)16-11(19)6-20-12-15-4-3-10(18)17-12/h1-5H,6,14H2,(H,16,19)(H,15,17,18)/p-1