2-[2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-5-carbamimidoyl-1H-indol-3-yl]ethanamide

Systemtic Name: 2-[2-(3-bromanyl-5-methyl-2-oxidanyl-phenyl)-5-carbamimidoyl-1H-indol-3-yl]ethanamide Openeye Name: 2-[2-(3-bromo-2-hydroxy-5-methyl-phenyl)-5-carbamimidoyl-1H-indol-3-yl]acetamide CAS Name: 2-[2-(3-bromo-2-hydroxy-5-methylphenyl)-5-carbamimidoyl-1H-indol-3-yl]acetamide IUPAC Name: 2-[2-(3-bromo-2-hydroxy-5-methylphenyl)-5-carbamimidoyl-1H-indol-3-yl]acetamide Traditional Name: 2-[5-amidino-2-(3-bromo-2-hydroxy-5-methyl-phenyl)-1H-indol-3-yl]acetamide Formula: C18H17BrN4O2 MolecularWeight: 401.25718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC(=O)N)O)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=N)N)CC(=O)N)O)Br

InChI

InChI=1S/C18H17BrN4O2/c1-8-4-12(17(25)13(19)5-8)16-11(7-15(20)24)10-6-9(18(21)22)2-3-14(10)23-16/h2-6,23,25H,7H2,1H3,(H2,20,24)(H3,21,22)