N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[6-azanyl-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[6-amino-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide CAS Name: N-[6-amino-4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[6-amino-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1H-pyrimidin-5-yl]-3,4-dimethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]-1H-pyrimidin-5-yl]-3,4-dimethoxy-benzamide Formula: C23H25N5O5S MolecularWeight: 483.5401

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCCC3=CC=CC=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCCC3=CC=CC=C3)N)OC

InChI

InChI=1S/C23H25N5O5S/c1-32-16-9-8-15(12-17(16)33-2)21(30)26-19-20(24)27-23(28-22(19)31)34-13-18(29)25-11-10-14-6-4-3-5-7-14/h3-9,12H,10-11,13H2,1-2H3,(H,25,29)(H,26,30)(H3,24,27,28,31)