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

Systemtic Name: N-[6-azanyl-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]benzamide Openeye Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide CAS Name: N-[6-amino-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidin-5-yl]benzamide IUPAC Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]benzamide Traditional Name: N-[6-amino-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidin-5-yl]benzamide Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

InChI

InChI=1S/C13H14N4O3S/c14-10-9(12(20)17-13(16-10)21-7-6-18)15-11(19)8-4-2-1-3-5-8/h1-5,18H,6-7H2,(H,15,19)(H3,14,16,17,20)