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

Systemtic Name: N-[6-azanyl-2-(cyanomethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-(cyanomethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-(cyanomethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-(cyanomethylthio)-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C15H15N5O3S MolecularWeight: 345.3763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#N)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC#N)N

InChI

InChI=1S/C15H15N5O3S/c1-2-23-10-5-3-9(4-6-10)13(21)18-11-12(17)19-15(20-14(11)22)24-8-7-16/h3-6H,2,8H2,1H3,(H,18,21)(H3,17,19,20,22)