P4Y

5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid

Created:	2011-02-08
Last modified:	2011-06-04

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1 entries where P4Y is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	23

2D diagram of P4Y

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Chemical Component Summary
Name	5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	5,6-dihydroxy-2-[(2-phenyl-1H-indol-3-yl)methyl]pyrimidine-4-carboxylic acid
Formula	C₂₀ H₁₅ N₃ O₄
Molecular Weight	361.351
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c1nc(nc(O)c1O)Cc3c2ccccc2nc3c4ccccc4
SMILES	CACTVS	3.370	OC(=O)c1nc(Cc2c([nH]c3ccccc23)c4ccccc4)nc(O)c1O
SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)c1nc(Cc2c([nH]c3ccccc23)c4ccccc4)nc(O)c1O
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc(cc1)c2c(c3ccccc3[nH]2)Cc4nc(c(c(n4)O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C20H15N3O4/c24-18-17(20(26)27)22-15(23-19(18)25)10-13-12-8-4-5-9-14(12)21-16(13)11-6-2-1-3-7-11/h1-9,21,24H,10H2,(H,26,27)(H,22,23,25)
InChIKey	InChI	1.03	JONQCFJPPWOWOJ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135566551, 54731522

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