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

Systemtic Name: N-[6-azanyl-2-(2-hydroxyethylsulfanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-(2-hydroxyethylthio)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-(2-hydroxyethylsulfanyl)-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-2-(2-hydroxyethylthio)-4-keto-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C15H18N4O4S MolecularWeight: 350.39282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCCO)N

InChI

InChI=1S/C15H18N4O4S/c1-2-23-10-5-3-9(4-6-10)13(21)17-11-12(16)18-15(19-14(11)22)24-8-7-20/h3-6,20H,2,7-8H2,1H3,(H,17,21)(H3,16,18,19,22)