2-azanyl-7-[(4-bromanyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-4-chloranyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

Systemtic Name: 2-azanyl-7-[(4-bromanyl-3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)methyl]-4-chloranyl-5H-pyrrolo[2,3-d]pyrimidin-6-one Openeye Name: 2-amino-7-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one CAS Name: 2-amino-7-[(4-bromo-3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one IUPAC Name: 2-amino-7-[(4-bromo-3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one Traditional Name: 2-amino-7-[(4-bromo-3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)methyl]-4-chloro-5H-pyrrolo[2,3-d]pyrimidin-6-one Formula: C14H13BrClN5O2 MolecularWeight: 398.64232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=C(C(=C1Br)C)CN2C(=O)CC3=C2N=C(N=C3Cl)N)[O-]

Isomeric SMILES

CC1=C[N+](=C(C(=C1Br)C)CN2C(=O)CC3=C2N=C(N=C3Cl)N)[O-]

InChI

InChI=1S/C14H13BrClN5O2/c1-6-4-21(23)9(7(2)11(6)15)5-20-10(22)3-8-12(16)18-14(17)19-13(8)20/h4H,3,5H2,1-2H3,(H2,17,18,19)