4-oxidanylidene-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde

Systemtic Name: 4-oxidanylidene-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Openeye Name: 4-oxo-5-(3-phenylpropyl)-2-thioxo-1H-pyrimidine-6-carbaldehyde CAS Name: 4-oxo-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carboxaldehyde IUPAC Name: 4-oxo-5-(3-phenylpropyl)-2-sulfanylidene-1H-pyrimidine-6-carbaldehyde Traditional Name: 4-keto-5-(3-phenylpropyl)-2-thioxo-1H-pyrimidine-6-carbaldehyde Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC2=C(NC(=S)NC2=O)C=O

Isomeric SMILES

C1=CC=C(C=C1)CCCC2=C(NC(=S)NC2=O)C=O

InChI

InChI=1S/C14H14N2O2S/c17-9-12-11(13(18)16-14(19)15-12)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H2,15,16,18,19)