N-[8-bromanyl-6-oxidanylidene-9-(phenylmethyl)-3H-purin-2-yl]ethanamide

Systemtic Name: N-[8-bromanyl-6-oxidanylidene-9-(phenylmethyl)-3H-purin-2-yl]ethanamide Openeye Name: N-(9-benzyl-8-bromo-6-oxo-3H-purin-2-yl)acetamide CAS Name: N-[8-bromo-6-oxo-9-(phenylmethyl)-3H-purin-2-yl]acetamide IUPAC Name: N-(9-benzyl-8-bromo-6-oxo-3H-purin-2-yl)acetamide Traditional Name: N-(9-benzyl-8-bromo-6-keto-3H-purin-2-yl)acetamide Formula: C14H12BrN5O2 MolecularWeight: 362.18138

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)Br)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC1=NC(=O)C2=C(N1)N(C(=N2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C14H12BrN5O2/c1-8(21)16-14-18-11-10(12(22)19-14)17-13(15)20(11)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,16,18,19,21,22)