(6Z)-6-[[[2-(1H-indol-3-ylmethyl)phenyl]methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione

Systemtic Name: (6Z)-6-[[[2-(1H-indol-3-ylmethyl)phenyl]methylamino]-oxidanyl-methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Openeye Name: (6Z)-6-[hydroxy-[[2-(1H-indol-3-ylmethyl)phenyl]methylamino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-dione CAS Name: (6Z)-6-[hydroxy-[[2-(1H-indol-3-ylmethyl)phenyl]methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione IUPAC Name: (6Z)-6-[hydroxy-[[2-(1H-indol-3-ylmethyl)phenyl]methylamino]methylidene]-2-thiophen-2-yl-1H-pyrimidine-4,5-dione Traditional Name: (6Z)-6-[hydroxy-[[2-(1H-indol-3-ylmethyl)benzyl]amino]methylene]-2-(2-thienyl)-1H-pyrimidine-4,5-quinone Formula: C25H20N4O3S MolecularWeight: 456.5163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CC2=CNC3=CC=CC=C32)CNC(=C4C(=O)C(=O)N=C(N4)C5=CC=CS5)O

Isomeric SMILES

C1=CC=C(C(=C1)CC2=CNC3=CC=CC=C32)CN/C(=C/4\C(=O)C(=O)N=C(N4)C5=CC=CS5)/O

InChI

InChI=1S/C25H20N4O3S/c30-22-21(28-23(29-25(22)32)20-10-5-11-33-20)24(31)27-13-16-7-2-1-6-15(16)12-17-14-26-19-9-4-3-8-18(17)19/h1-11,14,26-27,31H,12-13H2,(H,28,29,32)/b24-21-