N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-(2-oxidanylidenepropylsulfanyl)-1H-pyrimidin-5-yl]benzamide Openeye Name: N-(2-acetonylsulfanyl-6-amino-4-oxo-1H-pyrimidin-5-yl)benzamide CAS Name: N-[6-amino-4-oxo-2-(2-oxopropylthio)-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-4-oxo-2-(2-oxopropylsulfanyl)-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[2-(acetonylthio)-6-amino-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C14H14N4O3S MolecularWeight: 318.35096

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)CSC1=NC(=O)C(=C(N1)N)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N4O3S/c1-8(19)7-22-14-17-11(15)10(13(21)18-14)16-12(20)9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,16,20)(H3,15,17,18,21)