5-ethyl-6-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-oxidanylidene-2-[(4-oxidanylidene-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-4-olate Openeye Name: 5-ethyl-6-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-4-olate CAS Name: 5-ethyl-6-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylthio]-1H-pyrimidin-4-olate IUPAC Name: 5-ethyl-6-oxo-2-[(4-oxo-1H-quinazolin-2-yl)methylsulfanyl]-1H-pyrimidin-4-olate Traditional Name: 5-ethyl-6-keto-2-[(4-keto-1H-quinazolin-2-yl)methylthio]-1H-pyrimidin-4-olate Formula: C15H13N4O3S- MolecularWeight: 329.35372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(NC1=O)SCC2=NC(=O)C3=CC=CC=C3N2)[O-]

Isomeric SMILES

CCC1=C(N=C(NC1=O)SCC2=NC(=O)C3=CC=CC=C3N2)[O-]

InChI

InChI=1S/C15H14N4O3S/c1-2-8-12(20)18-15(19-13(8)21)23-7-11-16-10-6-4-3-5-9(10)14(22)17-11/h3-6H,2,7H2,1H3,(H,16,17,22)(H2,18,19,20,21)/p-1