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

Systemtic Name: N-[6-azanyl-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Openeye Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxy-benzamide CAS Name: N-[6-amino-2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide IUPAC Name: N-[6-amino-2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-4-oxo-1H-pyrimidin-5-yl]-4-ethoxybenzamide Traditional Name: N-[6-amino-4-keto-2-[[2-keto-2-(piperonylamino)ethyl]thio]-1H-pyrimidin-5-yl]-4-ethoxy-benzamide Formula: C23H23N5O6S MolecularWeight: 497.52362

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(=O)NCC3=CC4=C(C=C3)OCO4)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC2=C(NC(=NC2=O)SCC(=O)NCC3=CC4=C(C=C3)OCO4)N

InChI

InChI=1S/C23H23N5O6S/c1-2-32-15-6-4-14(5-7-15)21(30)26-19-20(24)27-23(28-22(19)31)35-11-18(29)25-10-13-3-8-16-17(9-13)34-12-33-16/h3-9H,2,10-12H2,1H3,(H,25,29)(H,26,30)(H3,24,27,28,31)