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

Systemtic Name: 2-azanyl-9-[(4-bromanyl-3,5-dimethyl-pyridin-2-yl)methyl]-6-chloranyl-7-methyl-purin-8-one Openeye Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-methyl-purin-8-one CAS Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloro-7-methyl-8-purinone IUPAC Name: 2-amino-9-[(4-bromo-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-7-methylpurin-8-one Traditional Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-methyl-purin-8-one Formula: C14H14BrClN6O MolecularWeight: 397.65756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1Br)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)C

Isomeric SMILES

CC1=CN=C(C(=C1Br)C)CN2C3=C(C(=NC(=N3)N)Cl)N(C2=O)C

InChI

InChI=1S/C14H14BrClN6O/c1-6-4-18-8(7(2)9(6)15)5-22-12-10(21(3)14(22)23)11(16)19-13(17)20-12/h4H,5H2,1-3H3,(H2,17,19,20)