6-azanyl-9-[(3-bromophenyl)methyl]-2-methyl-7H-purin-8-one

Systemtic Name: 6-azanyl-9-[(3-bromophenyl)methyl]-2-methyl-7H-purin-8-one Openeye Name: 6-amino-9-[(3-bromophenyl)methyl]-2-methyl-7H-purin-8-one CAS Name: 6-amino-9-[(3-bromophenyl)methyl]-2-methyl-7H-purin-8-one IUPAC Name: 6-amino-9-[(3-bromophenyl)methyl]-2-methyl-7H-purin-8-one Traditional Name: 6-amino-9-(3-bromobenzyl)-2-methyl-7H-purin-8-one Formula: C13H12BrN5O MolecularWeight: 334.17128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC(=CC=C3)Br

InChI

InChI=1S/C13H12BrN5O/c1-7-16-11(15)10-12(17-7)19(13(20)18-10)6-8-3-2-4-9(14)5-8/h2-5H,6H2,1H3,(H,18,20)(H2,15,16,17)