5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-ol

Systemtic Name: 5-(6-azanyl-8-bromanyl-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]oxolan-3-ol Openeye Name: 5-(6-amino-8-bromo-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-ol CAS Name: 5-(6-amino-8-bromo-9-purinyl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3-oxolanol IUPAC Name: 5-(6-amino-8-bromopurin-9-yl)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]oxolan-3-ol Traditional Name: 5-(6-amino-8-bromo-purin-9-yl)-2-[[bis(4-methoxyphenyl)-phenyl-methoxy]methyl]tetrahydrofuran-3-ol Formula: C31H30BrN5O5 MolecularWeight: 632.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C6=C(C(=NC=N6)N)N=C5Br)O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C6=C(C(=NC=N6)N)N=C5Br)O

InChI

InChI=1S/C31H30BrN5O5/c1-39-22-12-8-20(9-13-22)31(19-6-4-3-5-7-19,21-10-14-23(40-2)15-11-21)41-17-25-24(38)16-26(42-25)37-29-27(36-30(37)32)28(33)34-18-35-29/h3-15,18,24-26,38H,16-17H2,1-2H3,(H2,33,34,35)