2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 2-[2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide CAS Name: 2-[[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 2-[2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 2-[2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]propanoylamino]benzamide Formula: C14H15N5O3S MolecularWeight: 333.3656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C(=O)N)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C14H15N5O3S/c1-7(23-14-18-10(15)6-11(20)19-14)13(22)17-9-5-3-2-4-8(9)12(16)21/h2-7H,1H3,(H2,16,21)(H,17,22)(H3,15,18,19,20)