8-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

Systemtic Name: 8-(2-azanyl-8-bromanyl-6-oxidanylidene-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid Openeye Name: 4-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)tetralin-6-carboxylic acid CAS Name: 8-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid IUPAC Name: 8-(2-amino-8-bromo-6-oxo-3H-purin-9-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid Traditional Name: 4-(2-amino-8-bromo-6-keto-3H-purin-9-yl)tetralin-6-carboxylic acid Formula: C16H14BrN5O3 MolecularWeight: 404.21806

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=CC(=C2)C(=O)O)N3C4=C(C(=O)N=C(N4)N)N=C3Br

Isomeric SMILES

C1CC(C2=C(C1)C=CC(=C2)C(=O)O)N3C4=C(C(=O)N=C(N4)N)N=C3Br

InChI

InChI=1S/C16H14BrN5O3/c17-15-19-11-12(20-16(18)21-13(11)23)22(15)10-3-1-2-7-4-5-8(14(24)25)6-9(7)10/h4-6,10H,1-3H2,(H,24,25)(H3,18,20,21,23)