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1-[2-(3-bromanylphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione

1-[2-(3-bromanylphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione

Systemtic Name:1-[2-(3-bromanylphenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione
Openeye Name:3,7-dibenzyl-1-[2-(3-bromophenoxy)ethyl]purine-2,6-dione
CAS Name:1-[2-(3-bromophenoxy)ethyl]-3,7-bis(phenylmethyl)purine-2,6-dione
IUPAC Name:3,7-dibenzyl-1-[2-(3-bromophenoxy)ethyl]purine-2,6-dione
Traditional Name:3,7-dibenzyl-1-[2-(3-bromophenoxy)ethyl]xanthine
Formula: C27H23BrN4O3
MolecularWeight: 531.40052
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC(=CC=C5)Br


Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4)CCOC5=CC(=CC=C5)Br


InChI

InChI=1S/C27H23BrN4O3/c28-22-12-7-13-23(16-22)35-15-14-31-26(33)24-25(29-19-30(24)17-20-8-3-1-4-9-20)32(27(31)34)18-21-10-5-2-6-11-21/h1-13,16,19H,14-15,17-18H2


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