6-bromanyl-9-[(4-methylquinolin-2-yl)methyl]purin-2-amine

Systemtic Name: 6-bromanyl-9-[(4-methylquinolin-2-yl)methyl]purin-2-amine Openeye Name: 6-bromo-9-[(4-methyl-2-quinolyl)methyl]purin-2-amine CAS Name: 6-bromo-9-[(4-methyl-2-quinolinyl)methyl]-2-purinamine IUPAC Name: 6-bromo-9-[(4-methylquinolin-2-yl)methyl]purin-2-amine Traditional Name: [6-bromo-9-[(4-methyl-2-quinolyl)methyl]purin-2-yl]amine Formula: C16H13BrN6 MolecularWeight: 369.21862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)CN3C=NC4=C3N=C(N=C4Br)N

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)CN3C=NC4=C3N=C(N=C4Br)N

InChI

InChI=1S/C16H13BrN6/c1-9-6-10(20-12-5-3-2-4-11(9)12)7-23-8-19-13-14(17)21-16(18)22-15(13)23/h2-6,8H,7H2,1H3,(H2,18,21,22)