2-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenylazanylphenyl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-anilinoanilino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(4-anilinoanilino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(4-anilinoanilino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(4-anilinoanilino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C21H21N4O2S- MolecularWeight: 393.48204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=CC=C(C=C2)NC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H22N4O2S/c1-2-6-18-13-19(26)25-21(24-18)28-14-20(27)23-17-11-9-16(10-12-17)22-15-7-4-3-5-8-15/h3-5,7-13,22H,2,6,14H2,1H3,(H,23,27)(H,24,25,26)/p-1