[1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]methyl-methoxy-oxidanylidene-phosphanium

Systemtic Name: [1-[4-ethoxy-3-(1-methyl-7-oxidanylidene-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]methyl-methoxy-oxidanylidene-phosphanium Openeye Name: [1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidyl]methyl-methoxy-oxo-phosphonium CAS Name: [1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidinyl]methyl-methoxy-oxophosphonium IUPAC Name: [1-[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonylpiperidin-4-yl]methyl-methoxy-oxophosphanium Traditional Name: [1-[4-ethoxy-3-(7-keto-1-methyl-3-propyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]sulfonyl-4-piperidyl]methyl-keto-methoxy-phosphonium Formula: C24H33N5O6PS+ MolecularWeight: 550.587481

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C[P+](=O)OC)OCC)C

Isomeric SMILES

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C[P+](=O)OC)OCC)C

InChI

InChI=1S/C24H32N5O6PS/c1-5-7-19-21-22(28(3)27-19)24(30)26-23(25-21)18-14-17(8-9-20(18)35-6-2)37(32,33)29-12-10-16(11-13-29)15-36(31)34-4/h8-9,14,16H,5-7,10-13,15H2,1-4H3/p+1