2-azanyl-8-bromanyl-9-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-8-bromanyl-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 2-amino-9-benzyl-8-bromo-3H-purin-6-one CAS Name: 2-amino-8-bromo-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2-amino-9-benzyl-8-bromo-3H-purin-6-one Traditional Name: 2-amino-9-benzyl-8-bromo-3H-purin-6-one Formula: C12H10BrN5O MolecularWeight: 320.1447

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2Br

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N=C(N3)N)N=C2Br

InChI

InChI=1S/C12H10BrN5O/c13-11-15-8-9(16-12(14)17-10(8)19)18(11)6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,14,16,17,19)