[3-(3-bromanyl-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid

Systemtic Name: [3-(3-bromanyl-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Openeye Name: [3-(3-bromo-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid CAS Name: [3-(3-bromo-2,5-dimethyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-phosphonopropyl]phosphonic acid IUPAC Name: [3-(3-bromo-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphonopropyl]phosphonic acid Traditional Name: [3-(3-bromo-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-7-yl)-1-phosphono-propyl]phosphonic acid Formula: C11H16BrN3O6P2 MolecularWeight: 428.112762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C)Br

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)CCC(P(=O)(O)O)P(=O)(O)O)C)Br

InChI

InChI=1S/C11H16BrN3O6P2/c1-6-5-8(15-11(13-6)10(12)7(2)14-15)3-4-9(22(16,17)18)23(19,20)21/h5,9H,3-4H2,1-2H3,(H2,16,17,18)(H2,19,20,21)