2-azanyl-8-bromanyl-9-[(1-oxidanyl-3-phenoxy-propan-2-yl)oxymethyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[(1-oxidanyl-3-phenoxy-propan-2-yl)oxymethyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[1-(hydroxymethyl)-2-phenoxy-ethoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(1-hydroxy-3-phenoxypropan-2-yl)oxymethyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(1-hydroxy-3-phenoxypropan-2-yl)oxymethyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[(1-methylol-2-phenoxy-ethoxy)methyl]-3H-purin-6-one Formula: C15H16BrN5O4 MolecularWeight: 410.22264

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)OCC(CO)OCN2C3=C(C(=O)N=C(N3)N)N=C2Br

InChI

InChI=1S/C15H16BrN5O4/c16-14-18-11-12(19-15(17)20-13(11)23)21(14)8-25-10(6-22)7-24-9-4-2-1-3-5-9/h1-5,10,22H,6-8H2,(H3,17,19,20,23)