P2V

~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine

Created:	2022-09-29
Last modified:	2023-03-29

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1 entries where P2V is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	63
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	22

2D diagram of P2V

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Chemical Component Summary
Name	~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Systematic Name (OpenEye OEToolkits)	~{N}-[(2-phenylphenyl)methyl]-5-piperidin-4-ylsulfanyl-3-propan-2-yl-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
Formula	C₂₆ H₃₀ N₆ S
Molecular Weight	458.622
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12
SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)c1c2c(c(nc(n2)SC3CCNCC3)NCc4ccccc4c5ccccc5)n[nH]1
Canonical SMILES	CACTVS	3.385	CC(C)c1[nH]nc2c(NCc3ccccc3c4ccccc4)nc(SC5CCNCC5)nc12
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(C)c1c2c(c(nc(n2)SC3CCNCC3)NCc4ccccc4c5ccccc5)n[nH]1
InChI	InChI	1.06	InChI=1S/C26H30N6S/c1-17(2)22-23-24(32-31-22)25(30-26(29-23)33-20-12-14-27-15-13-20)28-16-19-10-6-7-11-21(19)18-8-4-3-5-9-18/h3-11,17,20,27H,12-16H2,1-2H3,(H,31,32)(H,28,29,30)
InChIKey	InChI	1.06	JSWSIHXBXVQRFW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	167530391

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.