2-(6-bromanyl-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]ethanoic acid

Systemtic Name: 2-(6-bromanyl-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]ethanoic acid Openeye Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetic acid CAS Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)-1-piperazinyl]acetic acid IUPAC Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)piperazin-1-yl]acetic acid Traditional Name: 2-(6-bromo-1H-indol-3-yl)-2-[4-(7H-purin-6-yl)piperazino]acetic acid Formula: C19H18BrN7O2 MolecularWeight: 456.29592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CNC5=C4C=CC(=C5)Br)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=C2NC=N3)C(C4=CNC5=C4C=CC(=C5)Br)C(=O)O

InChI

InChI=1S/C19H18BrN7O2/c20-11-1-2-12-13(8-21-14(12)7-11)16(19(28)29)26-3-5-27(6-4-26)18-15-17(23-9-22-15)24-10-25-18/h1-2,7-10,16,21H,3-6H2,(H,28,29)(H,22,23,24,25)