9-[4,5-bis(4-methylphenoxy)oxolan-2-yl]-2-bromanyl-3H-purin-6-one

Systemtic Name: 9-[4,5-bis(4-methylphenoxy)oxolan-2-yl]-2-bromanyl-3H-purin-6-one Openeye Name: 9-[4,5-bis(4-methylphenoxy)tetrahydrofuran-2-yl]-2-bromo-3H-purin-6-one CAS Name: 9-[4,5-bis(4-methylphenoxy)-2-oxolanyl]-2-bromo-3H-purin-6-one IUPAC Name: 9-[4,5-bis(4-methylphenoxy)oxolan-2-yl]-2-bromo-3H-purin-6-one Traditional Name: 9-[4,5-bis(4-methylphenoxy)tetrahydrofuran-2-yl]-2-bromo-3H-purin-6-one Formula: C23H21BrN4O4 MolecularWeight: 497.34124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4NC(=NC5=O)Br

Isomeric SMILES

CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4NC(=NC5=O)Br

InChI

InChI=1S/C23H21BrN4O4/c1-13-3-7-15(8-4-13)30-17-11-18(32-22(17)31-16-9-5-14(2)6-10-16)28-12-25-19-20(28)26-23(24)27-21(19)29/h3-10,12,17-18,22H,11H2,1-2H3,(H,26,27,29)