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

Systemtic Name: methyl N-[3-[[8-bromanyl-6-(dimethylamino)purin-9-yl]methyl]phenyl]carbamate Openeye Name: methyl N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]carbamate CAS Name: N-[3-[[8-bromo-6-(dimethylamino)-9-purinyl]methyl]phenyl]carbamic acid methyl ester IUPAC Name: methyl N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]carbamate Traditional Name: N-[3-[[8-bromo-6-(dimethylamino)purin-9-yl]methyl]phenyl]carbamic acid methyl ester Formula: C16H17BrN6O2 MolecularWeight: 405.24918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC(=CC=C3)NC(=O)OC)Br

Isomeric SMILES

CN(C)C1=NC=NC2=C1N=C(N2CC3=CC(=CC=C3)NC(=O)OC)Br

InChI

InChI=1S/C16H17BrN6O2/c1-22(2)13-12-14(19-9-18-13)23(15(17)21-12)8-10-5-4-6-11(7-10)20-16(24)25-3/h4-7,9H,8H2,1-3H3,(H,20,24)