P4L

2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol

Created:	2010-04-14
Last modified:	2011-06-04

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1 entries where P4L is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	30
Aromatic Bond Count	13

2D diagram of P4L

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Chemical Component Summary
Name	2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
Systematic Name (OpenEye OEToolkits)	2-pyridin-2-yl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-ol
Formula	C₁₂ H₁₁ N₃ O S
Molecular Weight	245.3
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(O)c3c(nc1c2ncccc2)CCSC3
SMILES	CACTVS	3.370	Oc1nc(nc2CCSCc12)c3ccccn3
SMILES	OpenEye OEToolkits	1.7.0	c1ccnc(c1)c2nc3c(c(n2)O)CSCC3
Canonical SMILES	CACTVS	3.370	Oc1nc(nc2CCSCc12)c3ccccn3
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccnc(c1)c2nc3c(c(n2)O)CSCC3
InChI	InChI	1.03	InChI=1S/C12H11N3OS/c16-12-8-7-17-6-4-9(8)14-11(15-12)10-3-1-2-5-13-10/h1-3,5H,4,6-7H2,(H,14,15,16)
InChIKey	InChI	1.03	RBVWEFJWVRUKIS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2726819, 135418937

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