[2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl] 3-bromanylbenzoate

Systemtic Name: [2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl] 3-bromanylbenzoate Openeye Name: [2-(7H-purin-6-ylamino)-2-tetralin-2-yl-ethyl] 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-(7H-purin-6-ylamino)-2-(1,2,3,4-tetrahydronaphthalen-2-yl)ethyl] 3-bromobenzoate Traditional Name: 3-bromobenzoic acid [2-(7H-purin-6-ylamino)-2-tetralin-2-yl-ethyl] ester Formula: C24H22BrN5O2 MolecularWeight: 492.36778

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2CC1C(COC(=O)C3=CC(=CC=C3)Br)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1CC2=CC=CC=C2CC1C(COC(=O)C3=CC(=CC=C3)Br)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C24H22BrN5O2/c25-19-7-3-6-18(11-19)24(31)32-12-20(17-9-8-15-4-1-2-5-16(15)10-17)30-23-21-22(27-13-26-21)28-14-29-23/h1-7,11,13-14,17,20H,8-10,12H2,(H2,26,27,28,29,30)