7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromanyl-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromanyl-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromo-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromo-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromo-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-3-bromo-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C24H34BrN3O6P2 MolecularWeight: 602.394782

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CCC1=CC(=NC2=C(C(=NN12)C3=CC=CC=C3)Br)C)P(=O)(OCC)OCC)OCC

Isomeric SMILES

CCOP(=O)(C(CCC1=CC(=NC2=C(C(=NN12)C3=CC=CC=C3)Br)C)P(=O)(OCC)OCC)OCC

InChI

InChI=1S/C24H34BrN3O6P2/c1-6-31-35(29,32-7-2)21(36(30,33-8-3)34-9-4)16-15-20-17-18(5)26-24-22(25)23(27-28(20)24)19-13-11-10-12-14-19/h10-14,17,21H,6-9,15-16H2,1-5H3