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

Systemtic Name: 2-azanyl-9-[(4-bromanyl-3,5-dimethyl-pyridin-2-yl)methyl]-6-chloranyl-7-(4-methylpent-3-enyl)purin-8-one Openeye Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-(4-methylpent-3-enyl)purin-8-one CAS Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridinyl)methyl]-6-chloro-7-(4-methylpent-3-enyl)-8-purinone IUPAC Name: 2-amino-9-[(4-bromo-3,5-dimethylpyridin-2-yl)methyl]-6-chloro-7-(4-methylpent-3-enyl)purin-8-one Traditional Name: 2-amino-9-[(4-bromo-3,5-dimethyl-2-pyridyl)methyl]-6-chloro-7-(4-methylpent-3-enyl)purin-8-one Formula: C19H22BrClN6O MolecularWeight: 465.77458

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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)CCC=C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrClN6O/c1-10(2)6-5-7-26-15-16(21)24-18(22)25-17(15)27(19(26)28)9-13-12(4)14(20)11(3)8-23-13/h6,8H,5,7,9H2,1-4H3,(H2,22,24,25)