ethanol; 2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: ethanol; 2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: ethanol; 2-ethylsulfanyl-4-oxo-1H-pyrimidine-6-carbaldehyde CAS Name: ethanol; 2-(ethylthio)-4-oxo-1H-pyrimidine-6-carboxaldehyde IUPAC Name: ethanol; 2-ethylsulfanyl-4-oxo-1H-pyrimidine-6-carbaldehyde Traditional Name: ethanol; 2-(ethylthio)-4-keto-1H-pyrimidine-6-carbaldehyde Formula: C9H14N2O3S MolecularWeight: 230.28406

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Descriptors Computed from Structure

Canonical SMILES:

CCO.CCSC1=NC(=O)C=C(N1)C=O

Isomeric SMILES

CCO.CCSC1=NC(=O)C=C(N1)C=O

InChI

InChI=1S/C7H8N2O2S.C2H6O/c1-2-12-7-8-5(4-10)3-6(11)9-7;1-2-3/h3-4H,2H2,1H3,(H,8,9,11);3H,2H2,1H3