N-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-yl]-2-[(8-bromanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[2,6-bis(oxidanylidene)-3-(phenylmethyl)pyrimidin-4-yl]-2-[(8-bromanyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-benzyl-2,6-dioxo-pyrimidin-4-yl)-2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide CAS Name: 2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio]-N-[2,6-dioxo-3-(phenylmethyl)-4-pyrimidinyl]acetamide IUPAC Name: N-(3-benzyl-2,6-dioxopyrimidin-4-yl)-2-[(8-bromo-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-benzyl-2,6-diketo-pyrimidin-4-yl)-2-[(8-bromo-5H-[1,2,4]triazin[5,6-b]indol-3-yl)thio]acetamide Formula: C22H16BrN7O3S MolecularWeight: 538.37654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=C(N4)C=CC(=C5)Br)N=N3

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=CC(=O)NC2=O)NC(=O)CSC3=NC4=C(C5=C(N4)C=CC(=C5)Br)N=N3

InChI

InChI=1S/C22H16BrN7O3S/c23-13-6-7-15-14(8-13)19-20(24-15)27-21(29-28-19)34-11-18(32)25-16-9-17(31)26-22(33)30(16)10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,25,32)(H,24,27,29)(H,26,31,33)