2-azanyl-8-bromanyl-9-[[2-(4-chloranylphenoxy)-3-oxidanyl-propoxy]methyl]-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-[[2-(4-chloranylphenoxy)-3-oxidanyl-propoxy]methyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[[2-(4-chlorophenoxy)-3-hydroxy-propoxy]methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[[2-(4-chlorophenoxy)-3-hydroxypropoxy]methyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[[2-(4-chlorophenoxy)-3-hydroxypropoxy]methyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-[[2-(4-chlorophenoxy)-3-hydroxy-propoxy]methyl]-3H-purin-6-one Formula: C15H15BrClN5O4 MolecularWeight: 444.6677

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OC(CO)COCN2C3=C(C(=O)N=C(N3)N)N=C2Br)Cl

Isomeric SMILES

C1=CC(=CC=C1OC(CO)COCN2C3=C(C(=O)N=C(N3)N)N=C2Br)Cl

InChI

InChI=1S/C15H15BrClN5O4/c16-14-19-11-12(20-15(18)21-13(11)24)22(14)7-25-6-10(5-23)26-9-3-1-8(17)2-4-9/h1-4,10,23H,5-7H2,(H3,18,20,21,24)