5-azanyl-6-[(4-bromophenyl)amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-azanyl-6-[(4-bromophenyl)amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-amino-6-(4-bromoanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-amino-6-(4-bromoanilino)-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-amino-6-(4-bromoanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-amino-6-(4-bromoanilino)-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C12H11BrN6O MolecularWeight: 335.15934

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C(=N2)NC3=CC=C(C=C3)Br)N

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C(=N2)NC3=CC=C(C=C3)Br)N

InChI

InChI=1S/C12H11BrN6O/c1-18-10-9(6-15-18)11(20)19(14)12(17-10)16-8-4-2-7(13)3-5-8/h2-6H,14H2,1H3,(H,16,17)