2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[(4-oxidanyl-6-oxidanylidene-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[(5-allyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-phenyl-acetamide CAS Name: 2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide IUPAC Name: 2-[(4-hydroxy-6-oxo-5-prop-2-enyl-1H-pyrimidin-2-yl)sulfanyl]-N-phenylacetamide Traditional Name: 2-[(5-allyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-phenyl-acetamide Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2)O

Isomeric SMILES

C=CCC1=C(N=C(NC1=O)SCC(=O)NC2=CC=CC=C2)O

InChI

InChI=1S/C15H15N3O3S/c1-2-6-11-13(20)17-15(18-14(11)21)22-9-12(19)16-10-7-4-3-5-8-10/h2-5,7-8H,1,6,9H2,(H,16,19)(H2,17,18,20,21)