6-azanyl-9-[2-(4-bromanylphenoxy)ethyl]-1-methyl-purin-2-one

Systemtic Name: 6-azanyl-9-[2-(4-bromanylphenoxy)ethyl]-1-methyl-purin-2-one Openeye Name: 6-amino-9-[2-(4-bromophenoxy)ethyl]-1-methyl-purin-2-one CAS Name: 6-amino-9-[2-(4-bromophenoxy)ethyl]-1-methyl-2-purinone IUPAC Name: 6-amino-9-[2-(4-bromophenoxy)ethyl]-1-methylpurin-2-one Traditional Name: 6-amino-9-[2-(4-bromophenoxy)ethyl]-1-methyl-purin-2-one Formula: C14H14BrN5O2 MolecularWeight: 364.19726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC1=O)N(C=N2)CCOC3=CC=C(C=C3)Br)N

Isomeric SMILES

CN1C(=C2C(=NC1=O)N(C=N2)CCOC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C14H14BrN5O2/c1-19-12(16)11-13(18-14(19)21)20(8-17-11)6-7-22-10-4-2-9(15)3-5-10/h2-5,8H,6-7,16H2,1H3