2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[3-[(4-aminophenyl)amino]-3-oxidanylidene-propyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[3-(4-aminoanilino)-3-oxo-propyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[3-(4-aminoanilino)-3-oxopropyl]thio]-4-pyrimidinolate IUPAC Name: 2-[3-(4-aminoanilino)-3-oxopropyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[3-(4-aminoanilino)-3-keto-propyl]thio]pyrimidin-4-olate Formula: C13H13N4O2S- MolecularWeight: 289.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC(=O)CCSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC(=O)CCSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C13H14N4O2S/c14-9-1-3-10(4-2-9)16-12(19)6-8-20-13-15-7-5-11(18)17-13/h1-5,7H,6,8,14H2,(H,16,19)(H,15,17,18)/p-1