N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)acetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-(5H-[1,2,4]triazin[5,6-b]indol-3-ylthio)acetamide Formula: C23H19N7O3S MolecularWeight: 473.50706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=CC=CC=C5N4)N=N3

InChI

InChI=1S/C23H19N7O3S/c31-18-12-17(30(23(33)26-18)11-10-14-6-2-1-3-7-14)25-19(32)13-34-22-27-21-20(28-29-22)15-8-4-5-9-16(15)24-21/h1-9,12H,10-11,13H2,(H,25,32)(H,24,27,29)(H,26,31,33)