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

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-phenethyl-pyrimidin-4-yl]-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dioxo-3-phenethyl-pyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: N-(2,6-dioxo-3-phenethyl-4-pyrimidinyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide IUPAC Name: N-(2,6-dioxo-3-phenethylpyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-diketo-3-phenethyl-pyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C24H21N7O3S MolecularWeight: 487.53364

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC(=O)NC(=O)N4CCC5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC(=O)NC(=O)N4CCC5=CC=CC=C5

InChI

InChI=1S/C24H21N7O3S/c1-30-17-10-6-5-9-16(17)21-22(30)27-23(29-28-21)35-14-20(33)25-18-13-19(32)26-24(34)31(18)12-11-15-7-3-2-4-8-15/h2-10,13H,11-12,14H2,1H3,(H,25,33)(H,26,32,34)