6-[1-(6-aminopurin-9-yl)ethyl]-3-bromanyl-1-methyl-5-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[1-(6-aminopurin-9-yl)ethyl]-3-bromanyl-1-methyl-5-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[1-(6-aminopurin-9-yl)ethyl]-3-bromo-1-methyl-5-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[1-(6-aminopurin-9-yl)ethyl]-3-bromo-1-methyl-5-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 6-[1-(6-aminopurin-9-yl)ethyl]-3-bromo-1-methyl-5-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(1-adenin-9-ylethyl)-3-bromo-1-methyl-5-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H16BrN9O MolecularWeight: 466.29404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C(=NN2C)Br)C(=O)N1C3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

Isomeric SMILES

CC(C1=NC2=C(C(=NN2C)Br)C(=O)N1C3=CC=CC=C3)N4C=NC5=C4N=CN=C5N

InChI

InChI=1S/C19H16BrN9O/c1-10(28-9-24-13-15(21)22-8-23-18(13)28)16-25-17-12(14(20)26-27(17)2)19(30)29(16)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,21,22,23)