2-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H17N4O2S2- MolecularWeight: 385.48318

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=CC=C3)[O-]

InChI

InChI=1S/C18H18N4O2S2/c1-2-6-13-9-15(23)21-17(19-13)26-11-16(24)22-18-20-14(10-25-18)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,19,21,23)(H,20,22,24)/p-1