N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]ethanamide Openeye Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]acetamide CAS Name: N-[3-[[8-bromo-6-(dimethylamino)-9-purinyl]methyl]phenyl]acetamide IUPAC Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]acetamide Traditional Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]acetamide Formula: C16H17BrN6O MolecularWeight: 389.24978

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)CN2C3=C(C(=NC=N3)N(C)C)N=C2Br

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)CN2C3=C(C(=NC=N3)N(C)C)N=C2Br

InChI

InChI=1S/C16H17BrN6O/c1-10(24)20-12-6-4-5-11(7-12)8-23-15-13(21-16(23)17)14(22(2)3)18-9-19-15/h4-7,9H,8H2,1-3H3,(H,20,24)