2-[3-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[3-[(2-azanyl-4-chloranyl-phenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[3-(2-amino-4-chloro-anilino)-3-oxo-propyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[3-(2-amino-4-chloroanilino)-3-oxopropyl]thio]-4-pyrimidinolate IUPAC Name: 2-[3-(2-amino-4-chloroanilino)-3-oxopropyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[3-(2-amino-4-chloro-anilino)-3-keto-propyl]thio]pyrimidin-4-olate Formula: C13H12ClN4O2S- MolecularWeight: 323.77798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N)NC(=O)CCSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=C(C=C1Cl)N)NC(=O)CCSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H13ClN4O2S/c14-8-1-2-10(9(15)7-8)17-12(20)4-6-21-13-16-5-3-11(19)18-13/h1-3,5,7H,4,6,15H2,(H,17,20)(H,16,18,19)/p-1