2-azanyl-9-[(2-bromanyl-4-methoxy-3,5-dimethyl-1-oxidanyl-2H-pyridin-6-yl)methyl]-6-chloranyl-7H-purin-8-one

Systemtic Name: 2-azanyl-9-[(2-bromanyl-4-methoxy-3,5-dimethyl-1-oxidanyl-2H-pyridin-6-yl)methyl]-6-chloranyl-7H-purin-8-one Openeye Name: 2-amino-9-[(2-bromo-1-hydroxy-4-methoxy-3,5-dimethyl-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one CAS Name: 2-amino-9-[(2-bromo-1-hydroxy-4-methoxy-3,5-dimethyl-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one IUPAC Name: 2-amino-9-[(2-bromo-1-hydroxy-4-methoxy-3,5-dimethyl-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one Traditional Name: 2-amino-9-[(2-bromo-1-hydroxy-4-methoxy-3,5-dimethyl-2H-pyridin-6-yl)methyl]-6-chloro-7H-purin-8-one Formula: C14H16BrClN6O3 MolecularWeight: 431.67224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N(C1Br)O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)C)OC

Isomeric SMILES

CC1=C(C(=C(N(C1Br)O)CN2C3=C(C(=NC(=N3)N)Cl)NC2=O)C)OC

InChI

InChI=1S/C14H16BrClN6O3/c1-5-7(22(24)10(15)6(2)9(5)25-3)4-21-12-8(18-14(21)23)11(16)19-13(17)20-12/h10,24H,4H2,1-3H3,(H,18,23)(H2,17,19,20)