2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(4-dimethylaminophenyl)methyl]ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-[4-(dimethylamino)benzyl]acetamide Formula: C18H21BrN6O3 MolecularWeight: 449.30174

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC3=CC=C(C=C3)N(C)C)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NCC3=CC=C(C=C3)N(C)C)Br

InChI

InChI=1S/C18H21BrN6O3/c1-22(2)12-7-5-11(6-8-12)9-20-13(26)10-25-15-14(21-17(25)19)16(27)24(4)18(28)23(15)3/h5-8H,9-10H2,1-4H3,(H,20,26)