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

Systemtic Name: N-[3-cyclohexyl-2,6-bis(oxidanylidene)pyrimidin-4-yl]-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-cyclohexyl-2,6-dioxo-pyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: N-(3-cyclohexyl-2,6-dioxo-4-pyrimidinyl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)thio]acetamide IUPAC Name: N-(3-cyclohexyl-2,6-dioxopyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-cyclohexyl-2,6-diketo-pyrimidin-4-yl)-2-[(5-methyl-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C22H23N7O3S MolecularWeight: 465.52812

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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)N4C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1N=C(N=N3)SCC(=O)NC4=CC(=O)NC(=O)N4C5CCCCC5

InChI

InChI=1S/C22H23N7O3S/c1-28-15-10-6-5-9-14(15)19-20(28)25-21(27-26-19)33-12-18(31)23-16-11-17(30)24-22(32)29(16)13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,23,31)(H,24,30,32)