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

Systemtic Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Openeye Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile CAS Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-5-methyl-2-phenyl-3-pyrazolo[1,5-a]pyrimidinecarbonitrile IUPAC Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-5-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile Traditional Name: 7-[3,3-bis(diethoxyphosphoryl)propyl]-5-methyl-2-phenyl-pyrazolo[1,5-a]pyrimidine-3-carbonitrile Formula: C25H34N4O6P2 MolecularWeight: 548.508182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N4O6P2/c1-6-32-36(30,33-7-2)23(37(31,34-8-3)35-9-4)16-15-21-17-19(5)27-25-22(18-26)24(28-29(21)25)20-13-11-10-12-14-20/h10-14,17,23H,6-9,15-16H2,1-5H3