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

Systemtic Name: 2-azanyl-8-bromanyl-9-[(4-chlorophenyl)methyl]-3H-purin-6-one Openeye Name: 2-amino-8-bromo-9-[(4-chlorophenyl)methyl]-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-[(4-chlorophenyl)methyl]-3H-purin-6-one IUPAC Name: 2-amino-8-bromo-9-[(4-chlorophenyl)methyl]-3H-purin-6-one Traditional Name: 2-amino-8-bromo-9-(4-chlorobenzyl)-3H-purin-6-one Formula: C12H9BrClN5O MolecularWeight: 354.58976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C3=C(C(=O)N=C(N3)N)N=C2Br)Cl

Isomeric SMILES

C1=CC(=CC=C1CN2C3=C(C(=O)N=C(N3)N)N=C2Br)Cl

InChI

InChI=1S/C12H9BrClN5O/c13-11-16-8-9(17-12(15)18-10(8)20)19(11)5-6-1-3-7(14)4-2-6/h1-4H,5H2,(H3,15,17,18,20)