3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide

Systemtic Name: 3-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Openeye Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide CAS Name: 3-[[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzamide IUPAC Name: 3-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzamide Traditional Name: 3-[[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]methyl]benzamide Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)N)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC(=O)C=C(N2)N)C(=O)N

InChI

InChI=1S/C12H12N4O2S/c13-9-5-10(17)16-12(15-9)19-6-7-2-1-3-8(4-7)11(14)18/h1-5H,6H2,(H2,14,18)(H3,13,15,16,17)