2-azanyl-9-[(2-bromanyl-4-methoxy-3,5-dimethyl-phenyl)methyl]-6-chloranyl-7H-purin-8-one

Systemtic Name: 2-azanyl-9-[(2-bromanyl-4-methoxy-3,5-dimethyl-phenyl)methyl]-6-chloranyl-7H-purin-8-one Openeye Name: 2-amino-9-[(2-bromo-4-methoxy-3,5-dimethyl-phenyl)methyl]-6-chloro-7H-purin-8-one CAS Name: 2-amino-9-[(2-bromo-4-methoxy-3,5-dimethylphenyl)methyl]-6-chloro-7H-purin-8-one IUPAC Name: 2-amino-9-[(2-bromo-4-methoxy-3,5-dimethylphenyl)methyl]-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-(2-bromo-4-methoxy-3,5-dimethyl-benzyl)-6-chloro-7H-purin-8-one Formula: C15H15BrClN5O2 MolecularWeight: 412.6689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC)C)Br)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O

Isomeric SMILES

CC1=CC(=C(C(=C1OC)C)Br)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O

InChI

InChI=1S/C15H15BrClN5O2/c1-6-4-8(9(16)7(2)11(6)24-3)5-22-13-10(19-15(22)23)12(17)20-14(18)21-13/h4H,5H2,1-3H3,(H,19,23)(H2,18,20,21)